SCHEMBL7501284

SCHEMBL7501284

Nc1ccc2cnc(Nc3ccc(N4CCN(C(=O)O)CC4)cc3)nc2n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.51
ALK Q9UM73 1/20 0.51
CDK4 P11802 4/20 0.47
CCND1 P24385 4/20 0.47
CCNE1 P24864 4/20 0.47
CDK2 P24941 4/20 0.47
CDK1 P06493 2/20 0.47
CCNB1 P14635 2/20 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
SCHEMBL6073874 0.90 ALK (0.64) SYKALKCDK4CCND1CCNE1
SCHEMBL6074010 0.85 CDK2 (0.59) SYKALKCDK4CCND1CCNE1
SCHEMBL6073852 0.82 CDK4 (0.55) SYKCDK4CCND1CCNE1CDK2
SCHEMBL7066974 0.78 ALK (0.45) SYKALKCDK4CCND1CCNE1
SCHEMBL7500309 0.74 CDK2 (0.51) SYKCDK4CCND1CCNE1CDK2
SCHEMBL7064739 0.74 SYK (0.60) SYKCDK4CCND1CCNE1CDK2
SCHEMBL12478815 0.73 ALK (0.55) SYKALKCDK4CCND1
SCHEMBL6073372 0.73 JAK3 (0.46) SYKCDK4CCND1CDK2
SCHEMBL6073369 0.73 JAK3 (0.46) SYKCDK4CCND1CDK2
SCHEMBL3837154 0.72 CDK4 (0.56) CDK4CCND1CCNE1CDK2CDK1

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
EP-1254137-A1 PYRIDO 2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-11-06 EP disclosed
WO-2001055147-A1 PYRIDO[2,3-d]PYRIMIDINE-2,7-DIAMINE KINASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-08-02 WO disclosed