SCHEMBL2051027

SCHEMBL2051027

c1cc(NC2CCCNC2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 6/20 0.50
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
CDC42BPB Q9Y5S2 3/20 0.47
PRKD2 Q9BZL6 5/20 0.44
PRKCI P41743 2/20 0.44
AURKA O14965 2/20 0.44
RPS6KB1 P23443 2/20 0.44
CSNK2A1 P68400 1/20 0.43
HIPK2 Q9H2X6 1/20 0.43
CCNT1 O60563 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CHEK1 O14757 1/20 0.43
BRD4 O60885 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
SCHEMBL28188383 0.91 HRH3 (0.49) PRKCZPRKD2PRKCIRPS6KB1IRAK4
SCHEMBL28188382 0.91 HRH3 (0.49) PRKCZPRKD2PRKCIRPS6KB1IRAK4
SCHEMBL29779677 0.82 S1PR1 (0.52)
SCHEMBL23304369 0.82 MALT1 (0.52)
SCHEMBL29501368 0.81 HRH3 (0.58) ROCK2ROCK1CDC42BPBAURKARPS6KB1
SCHEMBL4006284 0.81 HRH3 (0.58) ROCK2ROCK1CDC42BPBAURKARPS6KB1
SCHEMBL7764412 0.80 S1PR1 (0.55)
SCHEMBL4705576 0.80 IRAK4 (0.52) PRKCZPRKD2AURKARPS6KB1IRAK4
SCHEMBL1671847 0.78 MALT1 (0.58) IRAK4
SCHEMBL15219316 0.78 BRD4 (0.53) PRKCZROCK2ROCK1CDC42BPBCCNT1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-B1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMA INC (US) 2018-07-18 EP disclosed
EP-3210609-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2017-08-30 EP disclosed
CN-102695706-A Imidazopyridine derivatives as JAK inhibitors ALMIRALL SA 2012-09-26 CN disclosed
WO-2011076419-A1 IMIDAZOPYRIDINE DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2011-06-30 WO disclosed