SCHEMBL18800703

SCHEMBL18800703

N=C(N)c1c(N)cc(C2CCCN(C(=O)c3ccccc3)C2)nc1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 12/20 0.52
▸ PARP14 Q460N5 2/20 0.51
▸ PARP10 Q53GL7 2/20 0.51
▸ MAP3K12 Q12852 5/20 0.49
▸ EGFR P00533 2/20 0.44
▸ TEC P42680 1/20 0.43
▸ HSD11B1 P28845 1/20 0.43

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
SCHEMBL18800912 0.96 PARP14 (0.51) BTKPARP14PARP10MAP3K12EGFR
SCHEMBL18800410 0.88 BTK (0.67) BTKEGFRTEC
SCHEMBL18800675 0.86 BTK (0.49) BTKEGFRTEC
SCHEMBL18800819 0.86 BTK (0.48) BTKEGFRTEC
SCHEMBL18800810 0.82 BTK (0.45) BTKEGFRTEC
SCHEMBL6115602 0.80 BTK (0.79) BTKPARP14PARP10MAP3K12
SCHEMBL18800814 0.79 BTK (0.66) BTKEGFRTEC
SCHEMBL18800807 0.79 ATR (0.48) BTK
SCHEMBL18800694 0.78 BTK (0.47) BTK
SCHEMBL16168187 0.78 BTK (0.47) BTKEGFRTEC

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-2789615-B1 Azaindazoles as Btk kinase modulators and use thereof BRISTOL MYERS SQUIBB CO (US) 2017-05-03 — — EP disclosed
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