SCHEMBL21381541

SCHEMBL21381541

COc1cc(C)cc2cc(-c3c(CCC(N)=O)c(CN4CCNC(=O)C4)n4ncnc(N)c34)sc12

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 20/20 0.84
▸ FGFR3 P22607 14/20 0.84
▸ FGFR4 P22455 1/20 0.82

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
SCHEMBL15023616 0.92 FGFR1 (1.00) FGFR1FGFR3FGFR4
Hydrochloric Acid SCHEMBL21385296 0.92 FGFR1 (0.83) FGFR1FGFR3
SCHEMBL20643278 0.91 FGFR1 (0.88) FGFR1FGFR3FGFR4
Rogaratinib SCHEMBL29358162 0.90 FGFR1 (1.00) FGFR1FGFR3FGFR4
SCHEMBL15046146 0.90 FGFR1 (0.89) FGFR1FGFR3FGFR4
Rogaratinib SCHEMBL15023004 0.90 FGFR1 (1.00) FGFR1FGFR3FGFR4
Rogaratinib SCHEMBL22288911 0.90 FGFR1 (0.99) FGFR1FGFR3FGFR4
Hydrochloric Acid SCHEMBL15023385 0.90 FGFR1 (0.88) FGFR1FGFR3FGFR4
Rogaratinib SCHEMBL15023316 0.90 FGFR1 (0.99) FGFR1FGFR3FGFR4
SCHEMBL15020059 0.89 FGFR1 (1.00) FGFR1FGFR3FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019180141-A1 COMBINATIONS OF ROGARATINIB BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 — — WO claimed
WO-2019180141-A1 COMBINATIONS OF ROGARATINIB BAYER AKTIENGESELLSCHAFT (DE) 2019-09-26 — — WO disclosed
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