SCHEMBL31035982

SCHEMBL31035982

Cc1cc2c(ccn2C)cc1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.55
PIK3CB P42338 1/20 0.50
ATAD2 Q6PL18 1/20 0.46
CYP2A6 P11509 2/20 0.42
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD11B1 P28845 1/20 0.38
PKM P14618 2/20 0.37
TERT O14746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CASP1 P29466 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 2/20 0.34
EGFR P00533 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3339367 0.92 PRKCI (0.55) PRKCIPIK3CBATAD2CYP2A6CYP3A4
SCHEMBL13209488 0.83 PRKCI (0.52) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL17827631 0.80 PRKCI (0.46) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL29263656 0.78 PRKCI (0.53) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL15899338 0.78 PRKCI (0.58) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL18683804 0.78 PRKCI (0.60) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL20660663 0.77 ALDH1A1 (0.57) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL20660849 0.77 ALDH1A1 (0.57) PRKCIPIK3CBCYP2A6CYP3A4TSHR
SCHEMBL15730252 0.76 PRKCI (0.46) PRKCIPIK3CBCYP2A6HSD11B1PKM
SCHEMBL18239894 0.76 PRKCI (0.46) PRKCIPIK3CBCYP2A6HSD11B1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed