SCHEMBL18800885

SCHEMBL18800885

Cc1ccccc1Nc1ncc(-c2ccc(Oc3ccccc3)cc2)c(C(=N)N)c1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 7/20 0.48
▸ SRC P12931 5/20 0.39
▸ PDE11A Q9HCR9 1/20 0.37
▸ PLAU P00749 1/20 0.35
▸ MAP3K7 O43318 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ LCK P06239 3/20 0.34
▸ TEK Q02763 3/20 0.34
▸ KDR P35968 2/20 0.34
▸ F2 P00734 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL18800559 0.91 BTK (0.58) BTKSRCPDE11AMAPK8MAPK10
SCHEMBL18800558 0.90 BTK (0.43) BTKPDE11AMAPK10ALDH1A1
SCHEMBL18800468 0.84 BTK (0.49) BTKSRCPDE11AFGFR1ALDH1A1
SCHEMBL18800884 0.82 BTK (0.42) BTK
SCHEMBL18800792 0.82 BTK (0.47) BTKFGFR1MAPK10
SCHEMBL18800891 0.81 BTK (0.62) BTKPLAUF2PLGPRSS1
SCHEMBL18800784 0.81 BTK (0.46) BTK
SCHEMBL18800770 0.81 BTK (0.57) BTKKDRF2PLGPRSS1
SCHEMBL18800772 0.80 ADORA1 (0.43) BTKSRCPDE11ALCKKDR
SCHEMBL18800886 0.79 BTK (0.42) BTK

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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