SCHEMBL4789491

SCHEMBL4789491

Cc1cn(-c2cc(NC(=O)c3ccc(C)c(NC(=O)c4cnc5[nH]ccc5c4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.69
▸ EPHB2 P29323 2/20 0.69
▸ HCK P08631 2/20 0.67
▸ NR2C2 P49116 1/20 0.67
▸ BTK Q06187 1/20 0.67
▸ OPRK1 P41145 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ MAPK14 Q16539 2/20 0.62
▸ MAP3K20 Q9NYL2 2/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ MAP4K2 Q12851 1/20 0.62
▸ RAF1 P04049 2/20 0.62
▸ BCR P11274 5/20 0.61
▸ ADORA3 P0DMS8 2/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ KDR P35968 1/20 0.61
▸ CHRNA4 P43681 1/20 0.61
▸ PDE3A Q14432 1/20 0.61

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
SCHEMBL4788636 0.91 EPHB2 (0.59) ABL1EPHB2HCKNR2C2BTK
SCHEMBL4788638 0.91 CSF1R (0.69) ABL1EPHB2HCKNR2C2BTK
SCHEMBL30339882 0.89 MAPK14 (0.66) ABL1EPHB2HCKNR2C2BTK
SCHEMBL24070473 0.89 MAPK14 (0.66) ABL1EPHB2HCKNR2C2BTK
SCHEMBL3424818 0.87 MAPK14 (0.62) ABL1EPHB2HCKNR2C2BTK
SCHEMBL28382296 0.85 EPHB2 (0.77) ABL1EPHB2HCKNR2C2BTK
SCHEMBL30546751 0.85 EPHB2 (0.77) ABL1EPHB2HCKNR2C2BTK
SCHEMBL14953321 0.85 ABL1 (0.78) ABL1MAPK14MAP3K20MAP3K7MAP4K2
SCHEMBL29514885 0.85 ABL1 (0.78) ABL1MAPK14MAP3K20MAP3K7MAP4K2
SCHEMBL24070682 0.85 MAPK14 (0.69) ABL1EPHB2HCKNR2C2BTK

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
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 — — WO disclosed
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