SCHEMBL29677296

SCHEMBL29677296

COc1cc2nc(-c3ccc(F)cc3)nc(Nc3ccc4[nH]ncc4c3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.66
KDR P35968 1/20 0.55
ROCK2 O75116 6/20 0.54
EGFR P00533 3/20 0.50
MKNK1 Q9BUB5 1/20 0.50
ABCG2 Q9UNQ0 5/20 0.49
ABCB1 P08183 3/20 0.49
ABCC1 P33527 3/20 0.49
TGFBR1 P36897 1/20 0.49
CDC7 O00311 1/20 0.48
ROCK1 Q13464 1/20 0.48
KDM1A O60341 1/20 0.48

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
SCHEMBL221437 1.00 RET (0.66) RETKDRROCK2EGFRMKNK1
SCHEMBL3580880 0.92 RET (0.64) RETKDRROCK2ABCG2ABCB1
SCHEMBL3588668 0.89 RET (0.61) RETKDRROCK2EGFRABCG2
SCHEMBL3593329 0.89 RET (0.62) RETKDRROCK2EGFRABCG2
SCHEMBL13154698 0.88 RET (0.66) RETKDRROCK2EGFRABCG2
SCHEMBL3583259 0.87 ROCK2 (0.64) RETKDRROCK2ABCG2ABCB1
SCHEMBL13154702 0.84 RET (0.72) RETKDRROCK2EGFRMKNK1
SCHEMBL3581389 0.84 RET (0.61) RETKDRROCK2EGFRABCG2
SCHEMBL3808492 0.83 ROCK2 (0.59) RETROCK2EGFRABCG2ABCB1
SCHEMBL3587684 0.83 TGFBR1 (0.56) KDRROCK2MKNK1ABCG2ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120055-A Combination therapy comprising a JAK pathway inhibitor and a ROCK inhibitor 因赛特公司 2023-11-24 CN disclosed
EP-4274578-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR Incyte Corporation (US) 2023-11-15 EP disclosed
WO-2022150676-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR INCYTE CORPORATION (US) 2022-07-14 WO disclosed