SCHEMBL6016124

SCHEMBL6016124

COC(=O)Cc1n[nH]c2ccc(Nc3nc(Cl)ncc3F)cc12

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.45
GRM4 Q14833 3/20 0.41
CCNT1 O60563 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
BCL6 P41182 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 2/20 0.38

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
SCHEMBL6016169 0.92 SYK (0.45) SYKGRM4CCNT1CCNE1CDK2
SCHEMBL6016679 0.83 SMN1; SMN2 (0.40) SYKGRM4SMN1; SMN2MEN1MAPT
SCHEMBL6016391 0.83 SYK (0.59) SYK
SCHEMBL6016334 0.83 SYK (0.59) SYK
SCHEMBL6016477 0.82 SYK (0.59) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL6016153 0.82 SYK (0.59) SYKCCNT1CCNE1CDK2CDK9
SCHEMBL6016285 0.81 SYK (0.59) SYKEGFR
SCHEMBL6016415 0.81 SYK (0.59) SYKEGFR
SCHEMBL6016171 0.79 GRM4 (0.50) SYKGRM4
SCHEMBL6016125 0.76 SYK (0.59) SYK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed