SCHEMBL13746148

SCHEMBL13746148

CN1CCN(c2ccc(Nc3ncc4ccn(-c5cc(F)c(N)c(F)c5)c4n3)cn2)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.60
AURKA O14965 3/20 0.55
CDK4 P11802 3/20 0.55
JAK2 O60674 14/20 0.53
BRD4 O60885 14/20 0.53
JAK1 P23458 4/20 0.53
BRD2 P25440 4/20 0.53
JAK3 P52333 4/20 0.53
BRD3 Q15059 4/20 0.53
BRDT Q58F21 4/20 0.53
STAT6 P42226 1/20 0.49
FGFR4 P22455 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
SCHEMBL1657471 0.88 RPS6KA3 (0.60) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1654963 0.88 RPS6KA3 (0.57) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1655190 0.87 RPS6KA3 (0.56) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4287854 0.83 RPS6KA3 (0.54) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4287871 0.83 RPS6KA3 (0.52) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL13749309 0.83 RPS6KA3 (0.55) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4287865 0.83 RPS6KA3 (0.53) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4287678 0.82 RPS6KA3 (0.51) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL4287680 0.82 RPS6KA3 (0.51) RPS6KA3AURKACDK4JAK2BRD4
SCHEMBL1655945 0.81 CDK4 (0.60) RPS6KA3AURKACDK4JAK2BRD4

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-2009098236-A1 PYRROLO [2, 3-D] PYRIDINES AND USE THEREOF AS TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-08-13 WO disclosed