SCHEMBL29562844

SCHEMBL29562844

CCn1cc(C#Cc2cc(C)ccc2C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)c2c(N)ncnc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 17/20 0.62
▸ NTRK1 P04629 2/20 0.62
▸ EPHA2 P29317 2/20 0.62
▸ BMX P51813 2/20 0.62
▸ EPHB4 P54760 2/20 0.62
▸ IKBKB O14920 1/20 0.62
▸ CHUK O15111 1/20 0.62
▸ MAP3K7 O43318 1/20 0.62
▸ JAK2 O60674 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ EGFR P00533 1/20 0.62
▸ RAF1 P04049 1/20 0.62
▸ FYN P06241 1/20 0.62
▸ YES1 P07947 1/20 0.62
▸ BCR P11274 1/20 0.62
▸ FGFR1 P11362 1/20 0.62
▸ BRAF P15056 1/20 0.62
▸ PDGFRA P16234 1/20 0.62
▸ EPHB2 P29323 1/20 0.62
▸ AXL P30530 1/20 0.62

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
SCHEMBL21614430 0.88 SRC (0.80) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL29561736 0.88 SRC (0.57) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL29561803 0.87 SRC (0.57) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL21614427 0.86 SRC (0.76) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL31620840 0.82 KIT (0.76) ABL1FGFR1PDGFRAKIT
SCHEMBL21614423 0.81 SRC (0.81) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL30986314 0.80 SRC (0.77) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL21614415 0.80 SRC (0.77) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL21614418 0.79 SRC (0.79) SRCNTRK1EPHA2BMXEPHB4
SCHEMBL28021485 0.78 KIT (0.72) ABL1EGFRFGFR1BRAFKDR

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
CN-110194772-B Alkynyl (hetero) aromatic ring compounds for inhibiting protein kinase activity 深圳市塔吉瑞生物医药有限公司 2022-04-05 — — CN disclosed
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