SCHEMBL23501077

SCHEMBL23501077

Nc1cc(CC(=O)Nc2ccccc2F)[nH]n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MAPT P10636 3/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ TSHR P16473 3/20 0.45
▸ RAB9A P51151 5/20 0.45
▸ KIT P10721 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PKM P14618 1/20 0.43

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
SCHEMBL29536538 1.00 POLB (0.47) POLBNPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29536398 0.90 AKT1 (0.44) POLBMAPTALDH1A1RAB9AKDR
SCHEMBL3178922 0.90 AKT1 (0.44) POLBMAPTALDH1A1RAB9AKDR
SCHEMBL23500689 0.80 GAA (0.54) POLBMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3187182 0.78 MEN1 (0.56) POLBNPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL29536743 0.78 MEN1 (0.56) POLBNPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL2010247 0.71 SMN1; SMN2 (0.69) POLBNPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL5164404 0.70 RAB9A (0.49) POLBNPC1MAPTSMN1; SMN2ALDH1A1
SCHEMBL3177749 0.70 AURKA (0.45) ALDH1A1LMNA
SCHEMBL12522979 0.70 CHRNA7 (0.45) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112939948-B Novel quinazoline-containing compound, intermediate and application thereof 苏州美诺医药科技有限公司 2022-05-17 — — CN disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 — — WO disclosed
WO-2021115432-A1 NOVEL QUINAZOLINE-CONTAINING COMPOUND, AND INTERMEDIATE THEREOF AND USE THEREOF 苏州长禾药业股份有限公司 2021-06-17 — — WO disclosed
CN-112939948-A Novel quinazoline-containing compound, intermediate and application thereof 苏州长禾药业股份有限公司 2021-06-11 — — CN disclosed
Send feedback