SCHEMBL21614411

SCHEMBL21614411

Cc1ccc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cn(C2CCCCC2)c2ncnc(N)c12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 15/20 0.75
▸ NTRK1 P04629 3/20 0.67
▸ BMX P51813 3/20 0.67
▸ ABL1 P00519 3/20 0.67
▸ EPHA2 P29317 2/20 0.67
▸ EPHB4 P54760 2/20 0.67
▸ YES1 P07947 2/20 0.67
▸ IKBKB O14920 1/20 0.67
▸ CHUK O15111 1/20 0.67
▸ MAP3K7 O43318 1/20 0.67
▸ JAK2 O60674 1/20 0.67
▸ EGFR P00533 1/20 0.67
▸ RAF1 P04049 1/20 0.67
▸ FYN P06241 1/20 0.67
▸ BCR P11274 1/20 0.67
▸ FGFR1 P11362 1/20 0.67
▸ BRAF P15056 1/20 0.67
▸ PDGFRA P16234 1/20 0.67
▸ EPHB2 P29323 1/20 0.67
▸ AXL P30530 1/20 0.67

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
SCHEMBL21614412 0.97 SRC (0.79) SRCNTRK1BMXABL1EPHA2
SCHEMBL23111944 0.94 SRC (0.69) SRCNTRK1BMXABL1EPHA2
SCHEMBL23111945 0.94 SRC (0.69) SRCNTRK1BMXABL1EPHA2
SCHEMBL23111982 0.92 SRC (0.73) SRCNTRK1BMXABL1EPHA2
SCHEMBL23111946 0.92 SRC (0.73) SRCNTRK1BMXABL1EPHA2
SCHEMBL21611719 0.91 SRC (0.72) SRCNTRK1BMXABL1EPHA2
SCHEMBL30986315 0.91 SRC (0.72) SRCNTRK1BMXABL1EPHA2
SCHEMBL21614415 0.90 SRC (0.77) SRCNTRK1BMXABL1EPHA2
SCHEMBL30986314 0.90 SRC (0.77) SRCNTRK1BMXABL1EPHA2
SCHEMBL21614427 0.88 SRC (0.76) SRCNTRK1BMXABL1EPHA2

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
EP-3795571-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY Shenzhen TargetRx, Inc. (CN) 2021-03-24 — — EP disclosed
WO-2020007234-A1 ALKYNYL(HETERO)AROMATIC COMPOUND FOR INHIBITING PROTEIN KINASE ACTIVITY 深圳市塔吉瑞生物医药有限公司 2020-01-09 — — WO disclosed
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