SCHEMBL7701122

SCHEMBL7701122

O=C(NCc1cc(F)ccc1F)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 11/20 0.48
KDR P35968 6/20 0.47
CDK1 P06493 1/20 0.45
CDK2 P24941 1/20 0.45
KIT P10721 1/20 0.41
FLT1 P17948 1/20 0.41
NAMPT P43490 2/20 0.41
KCNH2 Q12809 1/20 0.41
SGK1 O00141 1/20 0.41
CHEK2 O96017 1/20 0.41
PRKCG P05129 1/20 0.41
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
MARK2 Q7KZI7 1/20 0.41
AKT3 Q9Y243 1/20 0.41

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 0.83 KDR (0.58) CHEK1KDRCDK1CDK2KIT
SCHEMBL7700585 0.83 CHEK1 (0.53) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7701855 0.81 NAMPT (0.64) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7702867 0.81 CHEK1 (0.53) CHEK1KDRCDK1CDK2
SCHEMBL7701963 0.80 CHEK1 (0.57) CHEK1KDRCDK1CDK2KCNH2
SCHEMBL7705692 0.80 CHEK1 (0.62) CHEK1KDRCDK1CDK2KIT
SCHEMBL7701135 0.79 KMT2A (0.53) CHEK1
SCHEMBL7702362 0.79 KDR (0.52) CHEK1KDRCDK1CDK2KIT
SCHEMBL7701559 0.79 NAMPT (0.52) CHEK1KDRCDK1CDK2NAMPT
SCHEMBL7696243 0.78 CHEK1 (0.57) CHEK1KDRCDK1CDK2KIT

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