SCHEMBL16256476

SCHEMBL16256476

CC1CN(c2cccc(-c3n[nH]c4nccnc34)n2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 8/20 0.58
▸ PRKCD Q05655 6/20 0.58
▸ PIM1 P11309 8/20 0.53
▸ ACVR1 Q04771 4/20 0.48
▸ PIM3 Q86V86 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ FGFR2 P21802 1/20 0.41
▸ FGFR3 P22607 1/20 0.41

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
SCHEMBL9881957 0.86 PRKCQ (0.68) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882013 0.86 PRKCQ (0.68) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL12433139 0.84 PIM1 (0.55) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL14725582 0.83 PRKCQ (0.53) PRKCQPRKCDPIM1
SCHEMBL9881987 0.79 PIM1 (0.58) PRKCQPRKCDPIM1ACVR1PIM3
SCHEMBL9882010 0.75 PRKCQ (0.69) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882019 0.74 PRKCQ (0.53) PRKCQPRKCDPIM1
SCHEMBL9882005 0.74 PRKCQ (0.70) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9881985 0.73 PRKCQ (0.52) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882088 0.73 PRKCQ (0.52) PRKCQPRKCDPIM1

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
US-8895740-B2 Pyrazolopyrazine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-25 — — US disclosed
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