SCHEMBL20731024

SCHEMBL20731024

COc1ccn2ncc(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB3 P54753 1/20 0.45
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
SMPD3 Q9NY59 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
ROCK1 Q13464 2/20 0.38
TGFBR2 P37173 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37

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
SCHEMBL23938061 0.81 EPHB3 (0.46) EPHB3HTR2CHTR2AHTR2BALDH1A1
SCHEMBL31383575 0.79 EPHB3 (0.45) EPHB3HTR2CHTR2AHTR2BALDH1A1
SCHEMBL26661950 0.78 HTR2C (0.44) EPHB3HTR2CHTR2AHTR2BMEN1
SCHEMBL24656136 0.77 EPHB3 (0.43) EPHB3HTR2CHTR2AHTR2BALDH1A1
SCHEMBL20731021 0.77 SMPD3 (0.45) EPHB3HTR2CHTR2ASMPD3ALDH1A1
SCHEMBL27432445 0.76 EPHB3 (0.58) EPHB3KDM4E
SCHEMBL25290025 0.76 TAAR1 (0.46) EPHB3HTR2CHTR2AHTR2BMEN1
SCHEMBL3069691 0.76 HTR2A (0.51) EPHB3HTR2CHTR2AHTR2BALDH1A1
SCHEMBL15897953 0.74 EPHB3 (0.59) EPHB3ALDH1A1THRBKDM4ESMN1; SMN2
SCHEMBL3612887 0.73 EPHB3 (0.61) EPHB3ALDH1A1KMT2ACYP3A4MAPT

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
WO-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed
WO-2019032863-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2019-02-14 WO disclosed