SCHEMBL5818951

SCHEMBL5818951

Cc1ccc(C(=O)Nc2cc(-c3ccccn3)cc(C(F)(F)F)c2)cc1N1Cc2cnc3[nH]ccc3c2N(C)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K2 Q12851 12/20 0.52
▸ TNK2 Q07912 11/20 0.52
▸ ABL1 P00519 6/20 0.52
▸ KDR P35968 5/20 0.52
▸ FGFR1 P11362 4/20 0.52
▸ FGFR3 P22607 4/20 0.52
▸ BMX P51813 3/20 0.52
▸ PDGFRB P09619 3/20 0.52
▸ KIT P10721 2/20 0.52
▸ LCK P06239 1/20 0.52
▸ FES P07332 1/20 0.52
▸ RET P07949 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ PDGFRA P16234 1/20 0.52
▸ FLT1 P17948 1/20 0.52
▸ EPHA3 P29320 1/20 0.52
▸ EPHB4 P54760 1/20 0.52
▸ TEK Q02763 1/20 0.52
▸ KARS1 Q15046 1/20 0.52
▸ NTRK3 Q16288 1/20 0.52

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
SCHEMBL5813589 0.87 TNK2 (0.61) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5814944 0.87 MAP4K2 (0.50) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5816482 0.80 ABL1 (0.54) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5820599 0.77 MAP4K2 (0.67) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5816769 0.76 TNK2 (0.60) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5815047 0.76 MAP4K2 (0.61) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5820634 0.76 MAP4K2 (0.55) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5814252 0.75 FGFR1 (0.58) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5820613 0.75 TNK2 (0.57) MAP4K2TNK2ABL1KDRFGFR1
SCHEMBL5812530 0.74 MAP4K2 (0.60) MAP4K2TNK2ABL1KDRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 — — WO claimed
WO-2006124731-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-11-23 — — WO disclosed
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