SCHEMBL3716850

SCHEMBL3716850

CN(C)CC(=O)Nc1cccc(Nc2ncc(C(N)=O)c(N(c3ccccc3)C3CC3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 3/20 0.49
▸ CCNT1 O60563 2/20 0.49
▸ CDK2 P24941 2/20 0.49
▸ CCNE1 P24864 1/20 0.49
▸ EGFR P00533 7/20 0.46
▸ JAK3 P52333 4/20 0.43
▸ SYK P43405 6/20 0.42
▸ BTK Q06187 3/20 0.42
▸ ITK Q08881 2/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ LCK P06239 1/20 0.39
▸ MET P08581 1/20 0.39
▸ ALK Q9UM73 1/20 0.39

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
SCHEMBL3715143 0.89 MAP3K5 (0.51) EGFRJAK3SYKBTKITK
SCHEMBL3718752 0.79 SYK (0.44) JAK3SYKMAPK8MAPK9LCK
SCHEMBL913759 0.77 MAP3K5 (0.52) EGFRJAK3SYKBTKITK
SCHEMBL913808 0.77 STAT6 (0.60) CDK9CCNT1CDK2CCNE1EGFR
SCHEMBL913568 0.77 MAP3K5 (0.49) EGFRJAK3SYKBTKITK
SCHEMBL913156 0.76 CDK9 (0.54) CDK9CCNT1CDK2CCNE1EGFR
SCHEMBL915078 0.75 SYK (0.54) EGFRJAK3SYKITKLCK
SCHEMBL3720749 0.74 CCNT1 (0.51) CDK9CCNT1CDK2CCNE1EGFR
SCHEMBL3714738 0.74 EGFR (0.53) EGFRJAK3SYKBTKITK
SCHEMBL913817 0.74 JAK3 (0.55) EGFRJAK3SYKITKLCK

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
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 — — WO disclosed
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