SCHEMBL7701559

SCHEMBL7701559

O=C(NCc1cccnc1)Nc1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.50
CHEK1 O14757 1/20 0.50
KDR P35968 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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 0.91 KDR (0.58) NAMPTCDK1CDK2CHEK1KDR
SCHEMBL7701855 0.90 NAMPT (0.64) NAMPTCDK1CDK2CHEK1KDR
SCHEMBL7705692 0.83 CHEK1 (0.62) KMT2ACDK1CDK2CHEK1KDR
SCHEMBL7701963 0.82 CHEK1 (0.57) CDK1CDK2CHEK1KDR
SCHEMBL7701135 0.81 KMT2A (0.53) MEN1KMT2ACHEK1
SCHEMBL7702362 0.81 KDR (0.52) NAMPTMEN1KMT2ACDK1CDK2
SCHEMBL7701122 0.79 CHEK1 (0.48) NAMPTCDK1CDK2CHEK1KDR
SCHEMBL7701166 0.79 CHEK1 (0.53) CDK1CDK2CHEK1KDR
SCHEMBL7705309 0.78 KDR (0.69) NAMPTCDK1CDK2CHEK1KDR
SCHEMBL7696882 0.77 CHEK1 (0.51) NAMPTCDK1CDK2CHEK1KDR

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