SCHEMBL9486704

SCHEMBL9486704

c1ccc(-c2ccnc(-c3ccccn3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PPP1CA P62136 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 5/20 0.56
TP53 P04637 4/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 2/20 0.56
HSP90AA1 P07900 2/20 0.55
AURKA O14965 1/20 0.55
PRKACA P17612 1/20 0.55
ADORA2A P29274 1/20 0.55
LMNA P02545 5/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28503928 0.89 RAB9A (0.65) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL17866642 0.86 KMT2A (0.67) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL9489007 0.85 L3MBTL1 (0.65) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL9486988 0.85 KMT2A (0.60) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL29736136 0.85 AURKA (0.61) KDM4ETDP1MAPTKMT2ANPSR1
SCHEMBL776048 0.85 KDM4E (0.67) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL18848512 0.84 NPC1 (0.69) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL11972746 0.84 NPC1 (0.74) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL12824407 0.83 KDM4E (0.71) KDM4ETDP1ALDH1A1MAPTKMT2A
SCHEMBL1273826 0.83 KDM4E (0.59) KDM4ETDP1ALDH1A1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US claimed
EP-0431424-A2 Pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP claimed
JP-5255309-A None JP disclosed
CN-115340553-A Pyrimido [1,2-b ] indazole derivative and preparation method and application thereof 台州市中心医院(台州学院附属医院) 2022-11-15 CN disclosed
US-10930853-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-02-23 US disclosed
US-20170155048-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-06-01 US disclosed
JP-H05255309-A PHENYLPYRIMIDINYLPYRIDINE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE COMPOUND FUJI PHOTO FILM CO LTD 1993-10-05 JP disclosed
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
US-5250533-A Fungicidal pyridinylpyrimidines BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US disclosed
EP-0431424-A2 Pyridinylpyrimidin derivatives BAYER AG (DE) 1991-06-12 EP disclosed
US-4873248-A Pyridinylpyrimidines having fungicidal activity SUMITOMO CHEMICAL CO., LTD. (JP) 1989-10-10 US disclosed
EP-0270362-A2 Pyridinylpyrimidine derivatives, method for production thereof and a fungicide containing them as the active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-08 EP disclosed