SCHEMBL20919701

SCHEMBL20919701

CNC(=O)c1cc(-c2ccc(C3(C(=O)Nc4ncc(C#N)cn4)CCC3)cc2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.39
IDO1 P14902 3/20 0.38
HDAC1 Q13547 6/20 0.37
KDR P35968 1/20 0.37
AR P10275 1/20 0.37
PIN1 Q13526 1/20 0.36
ADORA1 P30542 2/20 0.35
EGLN2 Q96KS0 1/20 0.35
WNT3A P56704 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HSD11B1 P28845 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL20919737 0.87 FFAR2 (0.43) IDO1HDAC1KDRWNT3AHDAC3
SCHEMBL20938113 0.81 HDAC1 (0.44) IDO1HDAC1KDRWNT3AHDAC3
SCHEMBL20919702 0.79 FFAR2 (0.44) IDO1HDAC1KDRFFAR2
SCHEMBL20919675 0.79 ALDH1A1 (0.58) IDO1HDAC1HDAC3HDAC7HDAC2
SCHEMBL20919682 0.79 HDAC1 (0.44) IDO1HDAC1KDRWNT3AHDAC3
SCHEMBL20919680 0.79 ALDH1A1 (0.60) IDO1HDAC1KDRWNT3AHDAC3
SCHEMBL20919699 0.78 IDO1 (0.42) IDO1HDAC1KDRHDAC3HDAC7
SCHEMBL20919670 0.78 HDAC1 (0.43) IDO1HDAC1KDRHDAC3HDAC7
SCHEMBL20919712 0.76 KDR (0.41) IDO1KDRHSD11B1
SCHEMBL20919720 0.76 KDR (0.39) IDO1KDRWNT3AHSD11B1FFAR2

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-3735410-A1 PICOLINAMIDE COMPOUNDS Tempest Therapeutics, Inc. (US) 2020-11-11 EP claimed
WO-2019079614-A1 PICOLINAMIDE COMPOUNDS TEMPEST THERAPEUTICS, INC. (US) 2019-04-25 WO claimed
EP-3735410-A1 PICOLINAMIDE COMPOUNDS Tempest Therapeutics, Inc. (US) 2020-11-11 EP disclosed
WO-2019079614-A1 PICOLINAMIDE COMPOUNDS TEMPEST THERAPEUTICS, INC. (US) 2019-04-25 WO disclosed