SCHEMBL18780337

SCHEMBL18780337

N=C(N)c1c(-c2ccc(Oc3ccccc3)cc2)cc(N2CCC(NC(=O)c3ccccc3)CC2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 4/20 0.48
▸ TMPRSS15 P98073 2/20 0.47
▸ CKS1B P61024 1/20 0.46
▸ SKP1 P63208 1/20 0.46
▸ SKP2 Q13309 1/20 0.46
▸ ST14 Q9Y5Y6 7/20 0.45
▸ F2 P00734 5/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ F10 P00742 2/20 0.44
▸ PRSS1 P07477 4/20 0.44
▸ PRSS2 P07478 4/20 0.44
▸ PRSS3 P35030 4/20 0.44
▸ PKM P14618 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.43
▸ PLG P00747 2/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ AURKB Q96GD4 1/20 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
SCHEMBL18780324 0.87 BTK (0.64) BTKCKS1BSKP1SKP2AURKA
SCHEMBL18780299 0.84 BTK (0.52) BTKCKS1BSKP1SKP2NPC1
SCHEMBL18780383 0.83 NPC1 (0.54) BTKST14F2NPC1F10
SCHEMBL18780296 0.83 MEN1 (0.49) BTKCKS1BSKP1SKP2PRSS1
SCHEMBL18780335 0.83 BTK (0.70) BTKCKS1BSKP1SKP2AURKA
SCHEMBL18780334 0.82 BTK (0.52) BTKNPC1
SCHEMBL6115795 0.82 BTK (0.54) BTKCKS1BSKP1SKP2NPC1
SCHEMBL18780268 0.82 BTK (0.51) BTK
SCHEMBL18780378 0.81 BTK (0.52) BTKNPC1F10
SCHEMBL18780297 0.80 BTK (0.50) BTKPDPK1AURKB

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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