SCHEMBL29385672

SCHEMBL29385672

FC(F)(F)c1ccc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CYP4F2 P78329 5/20 0.37
▸ CYP4A11 Q02928 5/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATR Q13535 3/20 0.33
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL19616735 1.00 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196202 0.86 RXRA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21243954 0.85 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31642739 0.85 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21196032 0.84 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29478977 0.84 CYP4F2 (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30959551 0.84 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29383806 0.84 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL26125302 0.84 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL23043131 0.83 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057744-B Process for preparing KRAS G12C inhibitors imidazotriazines and pyrrolopyrimidine derivatives 百济神州(北京)生物科技有限公司 2025-01-17 — — CN disclosed
EP-3880208-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2024-11-20 — — EP disclosed
EP-4087573-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2022-11-16 — — EP disclosed
CN-114057744-A Process for preparing imidazotriazine and pyrrolopyrimidine derivatives as inhibitors of KRAS G12C 百济神州(北京)生物科技有限公司 2022-02-18 — — CN disclosed
WO-2022028492-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEIGENE, LTD. (KY) 2022-02-10 — — WO disclosed
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