SCHEMBL22950992

SCHEMBL22950992

CNC(=O)Nc1cnccn1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.61
NPC1 O15118 4/20 0.61
KDM4E B2RXH2 8/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 1/20 0.56
GAA P10253 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HTT P42858 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL5381046 0.88 KDM4E (0.69) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL14559576 0.80 MAPK1 (0.62) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL4237518 0.80 RAB9A (0.56) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL29128663 0.78 KDM4E (0.54) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL30593991 0.78 RAB9A (0.57) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL1934753 0.78 RAB9A (0.57) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL3804620 0.77 RAB9A (0.74) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL11115961 0.76 RAB9A (1.00) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL25097159 0.76 KMT2A (0.54) RAB9ANPC1KDM4EKMT2APOLB
SCHEMBL5139472 0.76 KMT2A (0.54) RAB9ANPC1KDM4EKMT2APOLB

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
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN disclosed
WO-2021018195-A1 NOVEL TRICYCLIC COMPOUNDS AS BCR-ABL INHIBITORS ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-02-04 WO disclosed