SCHEMBL30643223

SCHEMBL30643223

O=C(Nc1ccccn1)c1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.67
POLB P06746 1/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
ALDH1A1 P00352 1/20 0.64
CNR2 P34972 1/20 0.62
KCNMA1 Q12791 1/20 0.62
SIRT2 Q8IXJ6 1/20 0.61
CES1 P23141 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TSHR P16473 1/20 0.59

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
SCHEMBL28671588 1.00 GRM5 (0.67) GRM5POLBNPC1RAB9AALDH1A1
SCHEMBL2194694 0.86 GRM5 (0.65) GRM5NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL23406041 0.85 ALDH1A1 (0.65) GRM5NPC1RAB9AALDH1A1CNR2
SCHEMBL29743806 0.85 ALDH1A1 (0.65) GRM5NPC1RAB9AALDH1A1CNR2
SCHEMBL16996704 0.85 RAB9A (0.66) NPC1RAB9AALDH1A1SIRT2SMN1; SMN2
SCHEMBL10978860 0.84 RAB9A (0.86) NPC1RAB9AKCNMA1SMN1; SMN2MEN1
SCHEMBL29743832 0.83 ADORA3 (0.61) GRM5POLBALDH1A1CNR2CES1
SCHEMBL20712951 0.83 ADORA3 (0.61) GRM5POLBNPC1RAB9AALDH1A1
SCHEMBL23405883 0.83 ADORA3 (0.61) GRM5POLBALDH1A1CNR2CES1
SCHEMBL30926713 0.82 ALDH1A1 (0.71) POLBALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653626-B1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2025-09-17 EP claimed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP claimed