SCHEMBL17525840

SCHEMBL17525840

CC(C)C1CN(c2cncc(-c3n[nH]c4ncccc34)n2)CCN1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 9/20 0.58
▸ PRKCD Q05655 7/20 0.58
▸ ZAP70 P43403 1/20 0.41
▸ PIM1 P11309 8/20 0.41
▸ PIM3 Q86V86 3/20 0.41
▸ PIM2 Q9P1W9 3/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL9882005 0.89 PRKCQ (0.70) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL8509439 0.86 PRKCQ (0.59) PRKCQPRKCDPIM1
SCHEMBL8509447 0.86 PRKCQ (0.59) PRKCQPRKCDPIM1
SCHEMBL9882354 0.84 PRKCQ (0.57) PRKCQPRKCDPIM1
SCHEMBL17525868 0.83 PIM1 (0.53) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882113 0.81 PRKCQ (0.62) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL15275352 0.79 PRKCQ (0.55) PRKCQPRKCDZAP70HDAC1
SCHEMBL15273942 0.79 PRKCQ (0.41) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL9882049 0.79 PRKCQ (0.55) PRKCQPRKCDZAP70HDAC1
SCHEMBL9882396 0.78 PIM1 (0.43) PRKCQPRKCDPIM1PIM3PIM2

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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