SCHEMBL25566088

SCHEMBL25566088

O=C1Cc2ccc(NC(=O)Nc3cc(C(F)(F)F)no3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.51
▸ EPHX2 P34913 1/20 0.47
▸ TRPV1 Q8NER1 12/20 0.45
▸ CSF1R P07333 1/20 0.43
▸ NTRK1 P04629 1/20 0.41
▸ NTRK3 Q16288 1/20 0.41
▸ NTRK2 Q16620 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ RAF1 P04049 1/20 0.41

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
SCHEMBL25567247 0.89 MAPK14 (0.59) MAPK14TRPV1CSF1RNTRK1NTRK3
SCHEMBL25566378 0.81 CSF1R (0.52) EPHX2TRPV1CSF1R
SCHEMBL25567264 0.78 MAPK14 (0.45) MAPK14TRPV1CSF1RNTRK1NTRK3
SCHEMBL25566598 0.76 KDR (0.51) EPHX2TRPV1CSF1RBRAF
SCHEMBL25566268 0.76 KDR (0.65) TRPV1
SCHEMBL25565993 0.76 ALDH1A1 (0.58) EPHX2
SCHEMBL25564759 0.75 MAPK14 (0.58) MAPK14CSF1RRAF1
SCHEMBL25566713 0.73 CSF1R (0.52) EPHX2TRPV1CSF1RBRAF
SCHEMBL3598229 0.73 KIF11 (0.68) EPHX2TRPV1NTRK1NTRK3
SCHEMBL25567411 0.73 ALDH1A1 (0.49) MAPK14CSF1RNTRK1NTRK3NTRK2

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-2023078207-A1 6-POSITION-SUBSTITUTED INDOLINONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF 南京中医药大学 2023-05-11 — — WO disclosed
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