SCHEMBL17525868

SCHEMBL17525868

c1cnc2[nH]nc(-c3cncc(N4CCNCC4)n3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 18/20 0.53
▸ PIM3 Q86V86 8/20 0.53
▸ PIM2 Q9P1W9 8/20 0.53
▸ PRKCQ Q04759 2/20 0.51
▸ PRKCD Q05655 2/20 0.51
▸ PRKCA P17252 1/20 0.51

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
SCHEMBL9881936 0.87 PRKCA (0.64) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9882039 0.84 PRKCQ (0.52) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9881926 0.83 PIM1 (0.65) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL17525840 0.83 PRKCQ (0.58) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL8509439 0.80 PRKCQ (0.59) PIM1PRKCQPRKCDPRKCA
SCHEMBL8509447 0.80 PRKCQ (0.59) PIM1PRKCQPRKCDPRKCA
SCHEMBL9882040 0.80 PRKD1 (0.53) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL9882374 0.80 PRKCQ (0.48) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL1834932 0.80 PRKCQ (0.49) PIM1PIM3PIM2PRKCQPRKCD
SCHEMBL27062796 0.80 CCNT1 (0.51) PIM1PIM3PIM2PRKCQPRKCD

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-2318408-B1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMA (US) 2016-02-17 — — EP disclosed
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