SCHEMBL17785915

SCHEMBL17785915

CCn1cc(-c2cc3c(cc2C#N)NCC3)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ KDM5A P29375 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ CREBBP Q92793 1/20 0.36
▸ PIM1 P11309 4/20 0.36
▸ USP30 Q70CQ3 2/20 0.35
▸ LRRK2 Q5S007 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ CDC42BPB Q9Y5S2 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PRKACA P17612 1/20 0.33
▸ PRKACG P22612 1/20 0.33
▸ PRKACB P22694 1/20 0.33
▸ EED O75530 1/20 0.33
▸ RBBP4 Q09028 1/20 0.33
▸ SUZ12 Q15022 1/20 0.33
▸ EZH2 Q15910 1/20 0.33
▸ AEBP2 Q6ZN18 1/20 0.33

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
SCHEMBL17785736 0.85 USP30 (0.46) KDM5AUSP30LRRK2RET
SCHEMBL31601615 0.79 USP30 (0.45) CREBBPUSP30LRRK2RET
SCHEMBL20329621 0.70 LRRK2 (0.47) KDM5AIRAK4CREBBPUSP30LRRK2
SCHEMBL17794568 0.67 USP30 (0.43) CREBBPUSP30LRRK2RET
SCHEMBL17785738 0.67 DRD1 (0.30) —
SCHEMBL29471204 0.67 USP30 (0.42) CREBBPUSP30LRRK2RETALK
SCHEMBL17673209 0.67 USP30 (0.42) CREBBPUSP30LRRK2RETALK
SCHEMBL17795136 0.66 DYRK1A (0.41) CREBBPPIM1LRRK2
SCHEMBL17795275 0.66 DYRK1A (0.41) CREBBPPIM1RET
SCHEMBL23930103 0.66 CREBBP (0.39) JAK2TYK2CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3224258-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS Genentech, Inc. (US) 2017-10-04 — — EP disclosed
WO-2016086200-A9 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-23 — — WO disclosed
WO-2016086200-A1 4,5,6,7-TETRAHYDRO-1 H-PYRAZOLO[4,3-C]PYRIDIN-3-AMINE COMPOUNDS AS CBP AND/OR EP300 INHIBITORS GENENTECH, INC. (US) 2016-06-02 — — WO disclosed
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