SCHEMBL7702887

SCHEMBL7702887

O=C(NCC1CCCO1)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
CHEK1 O14757 3/20 0.49
KDR P35968 2/20 0.48
RAB9A P51151 1/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
MAPT P10636 2/20 0.45
NAMPT P43490 4/20 0.45
BDKRB1 P46663 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SHMT2 P34897 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL7701963 0.81 CHEK1 (0.57) CHEK1KDRCDK1CDK2
SCHEMBL7698793 0.80 RAB9A (0.48) CHEK1KDRRAB9ACDK1CDK2
SCHEMBL7698769 0.80 KDR (0.58) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7702362 0.78 KDR (0.52) HPGDCHEK1KDRRAB9ACDK1
SCHEMBL7701720 0.78 CHEK1 (0.54) CHEK1KDRRAB9AMAPTMAPK1
SCHEMBL7701166 0.78 CHEK1 (0.53) CHEK1KDRCDK1CDK2
SCHEMBL7701855 0.78 NAMPT (0.64) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7705309 0.77 KDR (0.69) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7704067 0.77 CHEK1 (0.57) HPGDCHEK1KDRCDK1CDK2
SCHEMBL7705692 0.77 CHEK1 (0.62) CHEK1KDRRAB9ACDK1CDK2

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