SCHEMBL7291858

SCHEMBL7291858

Cc1nc(NCCN)c(C#N)cc1-c1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCH P24723 4/20 0.44
▸ PRKCE Q02156 4/20 0.44
▸ PRKCD Q05655 2/20 0.44
▸ ROCK2 O75116 1/20 0.44
▸ PRKCB P05771 1/20 0.44
▸ PRKCA P17252 1/20 0.44
▸ PRKCQ Q04759 1/20 0.44
▸ ROCK1 Q13464 1/20 0.44
▸ PRKD1 Q15139 1/20 0.44
▸ PKN1 Q16512 1/20 0.44
▸ PKN2 Q16513 1/20 0.44
▸ PDE3B Q13370 4/20 0.44
▸ PDE3A Q14432 4/20 0.44
▸ CYP2C19 P33261 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE5A O76074 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTGS1 P23219 1/20 0.44

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
SCHEMBL7282692 0.88 SMN1; SMN2 (0.47) PRKCHPRKCEPRKCDPRKCQPDE3B
SCHEMBL11234893 0.87 PDE3B (0.49) PRKCQROCK1PDE3BPDE3ACYP2C19
SCHEMBL7291227 0.86 ALDH1A1 (0.49) PRKCDPRKCAPDE3BPDE3ACYP2C19
SCHEMBL11251403 0.81 PDE3B (0.50) PDE3BPDE3ACYP2C19KDM4EPDE5A
SCHEMBL7291097 0.80 SMN1; SMN2 (0.48) PDE3BPDE3ACYP2C19KDM4EPDE5A
SCHEMBL7298318 0.80 CNR1 (0.47) PDE3BPDE3ACYP2C19KDM4EPDE5A
SCHEMBL29409515 0.76 PDE3B (0.51) PDE3BPDE3ACYP2C19KDM4EPDE5A
SCHEMBL7284439 0.76 PRKCH (0.46) PRKCHPRKCEPRKCDROCK2PRKCB
SCHEMBL7291890 0.76 CYP1A2 (0.58) CYP2C19KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL7291760 0.74 CYP1A2 (0.56) CYP2C19KDM4ELMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0200024-B1 3-CYANO-PYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ARZNEIMITTELWERK DRESDEN GmbH (DE) 1992-07-01 — — EP disclosed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 — — EP disclosed
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