SCHEMBL5189113

SCHEMBL5189113

Cc1c[nH]c(-c2cc(NC(=O)c3ccc(C)c(C(N)=O)c3)cc(C(F)(F)F)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 8/20 0.48
▸ MAPK14 Q16539 8/20 0.48
▸ KIT P10721 7/20 0.48
▸ LCK P06239 5/20 0.48
▸ ABL1 P00519 3/20 0.46
▸ SRC P12931 2/20 0.46
▸ CSF1R P07333 2/20 0.45
▸ FYN P06241 1/20 0.45
▸ YES1 P07947 1/20 0.45
▸ LYN P07948 1/20 0.45
▸ HCK P08631 1/20 0.45
▸ FGR P09769 1/20 0.45
▸ CSK P41240 1/20 0.45
▸ BLK P51451 1/20 0.45
▸ BMX P51813 1/20 0.45
▸ SRMS Q9H3Y6 1/20 0.45
▸ P2RY14 Q15391 1/20 0.43
▸ BTK Q06187 1/20 0.42
▸ PIKFYVE Q9Y2I7 1/20 0.42
▸ DDR2 Q16832 4/20 0.42

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
SCHEMBL4412667 0.90 BTK (0.47) KDRMAPK14KITLCKABL1
SCHEMBL17316222 0.87 ABL1 (0.49) KDRMAPK14KITLCKABL1
SCHEMBL574203 0.81 KIF11 (0.42) KDR
SCHEMBL4565580 0.80 P2RY14 (0.34) KITLCKABL1SRCCSF1R
SCHEMBL4695628 0.80 MITF (0.49) P2RY14PLAU
SCHEMBL4418714 0.80 MAPK14 (0.45) KDRMAPK14KITLCKABL1
SCHEMBL4412373 0.77 RXFP1 (0.45) BTK
SCHEMBL4716357 0.76 ABL1 (0.51) MAPK14ABL1PIKFYVE
SCHEMBL3362592 0.76 ABL1 (0.58) KDRMAPK14KITLCKABL1
SCHEMBL4254143 0.76 NR2E1 (0.71) KITABL1EPHB2EPHB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 — — EP claimed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 — — WO claimed
EP-1841431-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2007-10-10 — — EP disclosed
WO-2006081172-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-08-03 — — WO disclosed
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