SCHEMBL25130613

SCHEMBL25130613

Cc1nc(Cl)cc2c(Br)ccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
CCR1 P32246 4/20 0.34
CCR8 P51685 4/20 0.34
CCR5 P51681 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
HSP90AA1 P07900 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
USP2 O75604 1/20 0.34
PRKCI P41743 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 4/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
APAF1 O14727 1/20 0.31

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
SCHEMBL25130855 0.79 CSNK2A1 (0.34) CCR1CCR8CCR5MEN1KMT2A
SCHEMBL2171048 0.74 CCR1 (0.39) CCR1CCR8CCR5MEN1KMT2A
SCHEMBL2172222 0.71 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL31729412 0.71 ALDH1A1 (0.42) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL25130637 0.71 AXL (0.49)
SCHEMBL20448901 0.69 NR4A2 (0.34) CCR1CCR8MEN1KMT2AKDM4E
SCHEMBL11769852 0.69 NR4A2 (0.38) CCR1CCR8CCR5MEN1KMT2A
SCHEMBL20292984 0.67 NSD2 (0.40) MEN1KMT2AALDH1A1MAPTAPAF1
SCHEMBL28712027 0.67 PDE5A (0.46) KDM4EUSP2ALDH1A1MAPT
SCHEMBL29472084 0.67 PDE5A (0.46) KDM4EUSP2ALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023051628-A1 SOS1 INHIBITORS HAVING PYRIDO SIX-MEMBERED RING STRUCTURE 上海海和药物研究开发股份有限公司 2023-04-06 WO disclosed