SCHEMBL24327770

SCHEMBL24327770

C[C@@H](CO)Nc1cn2cc(-c3ccc(Cl)cc3)cc(-c3cnn(C)c3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.40
EP300 Q09472 5/20 0.38
KCNH2 Q12809 1/20 0.37
TTK P33981 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PFKFB3 Q16875 1/20 0.36
CLK1 P49759 3/20 0.35
KIT P10721 1/20 0.35
IRAK1 P51617 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
MAPK1 P28482 3/20 0.34
LRRK2 Q5S007 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
SCHEMBL24327768 0.82 AHR (0.42) AHREP300KCNH2TTKCNR1
SCHEMBL29738275 0.72 AHR (0.44) AHRTTKCNR1CNR2PFKFB3
SCHEMBL29738270 0.72 AHR (0.44) AHRTTKCNR1CNR2PFKFB3
SCHEMBL24327387 0.68 AHR (0.42) AHREP300TTKCNR1CNR2
SCHEMBL24327400 0.68 AHR (0.41) AHREP300TTKCNR1CNR2
SCHEMBL29601453 0.68 JAK2 (0.44) AHREP300TTKCNR1CNR2
SCHEMBL24327328 0.68 JAK2 (0.44) AHREP300TTKCNR1CNR2
SCHEMBL24327399 0.68 AHR (0.41) AHREP300KCNH2TTKCNR1
SCHEMBL24327333 0.68 JAK2 (0.44) AHREP300TTKCNR1CNR2
SCHEMBL29498955 0.67 KDR (0.45) KCNH2KITKDRLRRK2

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-2022078356-A1 HETEROAROMATIC AHR INHIBITOR 山东轩竹医药科技有限公司 2022-04-21 WO disclosed