SCHEMBL18780342

SCHEMBL18780342

Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(-c2cccc(C(=O)Nc3cc4ccccc4[nH]3)c2)n(C)[nH]nc1N

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.39
▸ KDR P35968 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.37
▸ TNK2 Q07912 2/20 0.37
▸ ATR Q13535 2/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ KIT P10721 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ FABP1 P07148 1/20 0.35

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
SCHEMBL6116264 0.79 BTK (0.51) BTKKDRNPC1RAB9ASMN1; SMN2
SCHEMBL16168570 0.72 RPS6KA2 (0.36) KDRNPC1RAB9ASMN1; SMN2RPS6KA2
SCHEMBL13801599 0.66 NPC1 (0.50) KDRNPC1RAB9ARPS6KA2SIRT2
SCHEMBL5557458 0.66 MEN1 (0.57) KDRNPC1RAB9ASMN1; SMN2RPS6KA2
SCHEMBL7433791 0.66 NPC1 (0.58) NPC1RAB9ASMN1; SMN2RPS6KA2FLT3
SCHEMBL6115598 0.65 BTK (0.58) BTKKDRCHEK2KITFLT3
SCHEMBL6115982 0.62 BTK (0.56) BTKKITFLT3FYN
SCHEMBL18780329 0.62 PLAU (0.53) BTKNPC1RAB9ASMN1; SMN2ATR
SCHEMBL6115656 0.62 BTK (0.69) BTK
SCHEMBL6115612 0.61 BTK (0.57) BTKATR

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
EP-2789614-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-04-26 — — EP disclosed
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