SCHEMBL3715520

SCHEMBL3715520

CCN(c1ccccc1)c1nc(Nc2ccc(Cl)c(NC(=O)COC)c2)ncc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 6/20 0.43
MAPK10 P53779 5/20 0.43
MAPK8 P45983 3/20 0.43
CDYL Q9Y232 1/20 0.42
EGFR P00533 5/20 0.41
ITK Q08881 2/20 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
SYK P43405 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
BTK Q06187 1/20 0.38
PTK2 Q05397 1/20 0.37

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
SCHEMBL3714499 0.91 MAPK9 (0.44) MAPK9MAPK10MAPK8EGFRITK
SCHEMBL3712339 0.89 MAPK9 (0.42) MAPK9MAPK10MAPK8EGFRSYK
SCHEMBL3720749 0.88 CCNT1 (0.51) MAPK9MAPK8EGFRITKCCNT1
SCHEMBL3713182 0.85 SYK (0.42) MAPK9MAPK10MAPK8EGFRSYK
SCHEMBL3715840 0.83 SYK (0.47) SYK
SCHEMBL3715958 0.82 MAPK9 (0.46) MAPK9MAPK10MAPK8EGFRSYK
SCHEMBL913417 0.81 STAT6 (0.58) MAPK9MAPK8SYK
SCHEMBL3712392 0.80 MAPK8 (0.45) MAPK9MAPK8EGFRITKSYK
SCHEMBL913778 0.79 SYK (0.53) MAPK9MAPK10MAPK8EGFRITK
SCHEMBL913777 0.79 SYK (0.53) MAPK9MAPK10MAPK8EGFRITK

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