SCHEMBL23019896

SCHEMBL23019896

CC[C@@H](C#N)Nc1ccnc(Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ SYK P43405 1/20 0.30
▸ CCR4 P51679 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL29607425 0.79 CRHR1 (0.42) HRH3CCR4
SCHEMBL28937980 0.79 CRHR1 (0.42) HRH3CCR4
SCHEMBL20612065 0.78 HCAR3 (0.43) CCR4
SCHEMBL28277650 0.78 HCAR3 (0.43) CCR4
SCHEMBL19402117 0.77 MAPK9 (0.34) MAPK9MAPK10GRM5
SCHEMBL21378510 0.74 FYN (0.44) —
SCHEMBL19692970 0.74 FYN (0.44) —
SCHEMBL1774897 0.73 GAA (0.42) MAPK10GRM5
SCHEMBL21550282 0.72 ESR1 (0.35) SYKCCR4GRM5
SCHEMBL20685774 0.72 MAPK14 (0.42) MAPK9GRM5

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
EP-3434674-B1 ((4-(2-OXOIMIDAZOLIDINE-1-YL)PYRIMIDIN-2-YL)AMINE DERIVATIVES AS MUTANT IDH INHIBITORS FOR TREATING CANCER SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-02-24 — — EP disclosed
Send feedback