SCHEMBL7705692

SCHEMBL7705692

O=C(NCc1ccccn1)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 7/20 0.62
KDR P35968 2/20 0.53
KIT P10721 1/20 0.53
PDGFRA P16234 1/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.52
CDK1 P06493 1/20 0.51
CDK2 P24941 1/20 0.51
ALOX15 P16050 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL7698769 0.86 KDR (0.58) CHEK1KDRKITCDK1CDK2
SCHEMBL7701855 0.86 NAMPT (0.64) CHEK1KDRNPC1CDK1CDK2
SCHEMBL7701559 0.83 NAMPT (0.52) CHEK1KDRL3MBTL1KMT2ACDK1
SCHEMBL7701963 0.83 CHEK1 (0.57) CHEK1KDRCDK1CDK2
SCHEMBL7702362 0.82 KDR (0.52) CHEK1KDRKITPDGFRARAB9A
SCHEMBL7701122 0.80 CHEK1 (0.48) CHEK1KDRKITCDK1CDK2
SCHEMBL7701166 0.80 CHEK1 (0.53) CHEK1KDRCDK1CDK2
SCHEMBL7705309 0.79 KDR (0.69) CHEK1KDRNPC1CDK1CDK2
SCHEMBL7702113 0.79 CHEK1 (0.49) CHEK1KDRKITPDGFRANPC1
SCHEMBL7701135 0.79 KMT2A (0.53) CHEK1RAB9ANPC1KMT2A

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
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed