SCHEMBL23314909

SCHEMBL23314909

COc1cc(OI)cc(-c2ccc3nc(Cl)ncc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 5/20 0.48
▸ RPS6KB2 Q9UBS0 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ABL1 P00519 2/20 0.42
▸ ABCB1 P08183 2/20 0.42
▸ BCR P11274 2/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP1A1 P04798 2/20 0.38
▸ CYP1B1 Q16678 2/20 0.38
▸ CYP2E1 P05181 1/20 0.38

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
SCHEMBL15413000 0.93 FGFR4 (0.53) FGFR4RPS6KB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL18612966 0.86 CYP11B1 (0.49) FGFR4RPS6KB2KDM4EALDH1A1SMN1; SMN2
SCHEMBL1571317 0.77 ALDH1A1 (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL28080193 0.76 LCK (0.54) FGFR4RPS6KB2ABL1ABCB1BCR
SCHEMBL27746938 0.76 KDM4E (0.64) FGFR4KDM4EALDH1A1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL28007029 0.75 ALDH1A1 (0.57) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL29428742 0.73 NPC1 (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL20330972 0.73 NPC1 (0.59) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL15618458 0.73 HSD17B1 (0.54) FGFR4RPS6KB2SMN1; SMN2ABL1ABCB1
SCHEMBL16667808 0.72 FGFR1 (0.55) FGFR4KDM4EALDH1A1SMN1; SMN2NPC1

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-2872491-B1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORP (US) 2021-05-05 — — EP disclosed
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