SCHEMBL30748587

SCHEMBL30748587

COc1cc2ccncc2nn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.61
MAOA P21397 2/20 0.42
PDE2A O00408 3/20 0.39
PDE10A Q9Y233 3/20 0.39
PDGFRB P09619 4/20 0.38
PDGFRA P16234 4/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CLK1 P49759 1/20 0.35
ALDH1A1 P00352 2/20 0.34
AURKA O14965 1/20 0.34
TTK P33981 1/20 0.34
AURKB Q96GD4 1/20 0.34
INCENP Q9NQS7 1/20 0.34
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 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
SCHEMBL12596669 0.76 KDM4E (0.36) KDM4EMAOAPOLBSMN1; SMN2CLK1
SCHEMBL1641167 0.76 KDM4E (1.00) KDM4EPDGFRBPDGFRAPOLBSMN1; SMN2
SCHEMBL30315534 0.76 KDM4E (1.00) KDM4EPDGFRBPDGFRAPOLBSMN1; SMN2
SCHEMBL23797441 0.74 CLK1 (0.42) KDM4EMAOAPDE2APDE10APDGFRB
SCHEMBL587832 0.73 MAPT (0.42) KDM4EMAOAPDGFRBPDGFRACYP11B1
SCHEMBL30738170 0.72 PDGFRB (0.51) KDM4EMAOAPDGFRBPDGFRACYP11B1
SCHEMBL21481133 0.72 LATS1 (0.35) KDM4ESMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL30711598 0.72 LATS1 (0.38) MAOAMAPT
SCHEMBL23779278 0.72 KDM4E (0.59) KDM4EALDH1A1HTTCYP1A2CYP2C19
SCHEMBL12940648 0.72 LATS1 (0.36) KDM4EHTT

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