SCHEMBL30748547

SCHEMBL30748547

COc1ccc(CC2(N)C=Cc3cc(N)ccc3N2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.39
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP19A1 P11511 1/20 0.35
NR4A1 P22736 1/20 0.35
MPO P05164 1/20 0.34
MAOB P27338 2/20 0.33
IDO1 P14902 4/20 0.33
AGXT P21549 2/20 0.33
RPS6KA2 Q15349 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5910616 0.69 KDM4E (0.33) TDP1
SCHEMBL4809948 0.67 PTGS1 (0.42) TDP1MAPK1ALDH1A1CYP3A4TAAR1
SCHEMBL17801704 0.65 LTA4H (0.36) RETTDP1MAPK1ALDH1A1CYP3A4
SCHEMBL28826421 0.65 IDO1 (0.38) TDP1MAPK1ALDH1A1CYP3A4TAAR1
SCHEMBL10841242 0.65 ALDH1A1 (0.46) TDP1MAPK1ALDH1A1MAOBPOLB
SCHEMBL11593733 0.65 KDM4E (0.32) TDP1
SCHEMBL4868046 0.62 TDP1 (0.52) TDP1MAPK1ALDH1A1CYP3A4TAAR1
SCHEMBL3044851 0.61 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4TAAR1
SCHEMBL8746062 0.61 CYP19A1 (0.74) TDP1MAPK1ALDH1A1CYP3A4TAAR1
SCHEMBL1824702 0.60 MAOB (0.55) ALDH1A1CYP3A4TAAR1MAOBIDO1

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
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed