SCHEMBL24535801

SCHEMBL24535801

CC1CC1c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ ATR Q13535 3/20 0.35
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RET P07949 2/20 0.34
▸ PDE1A P54750 5/20 0.31
▸ PDE1B Q01064 5/20 0.31
▸ PDE1C Q14123 5/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.31

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
SCHEMBL30542377 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31127844 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31127777 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL30542415 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31642882 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31643015 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31127821 1.00 RXRA (0.37) RXRARXRBRXRGATRCYP4F2
SCHEMBL31527282 0.89 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25375066 0.88 CYP4F2 (0.40) RXRARXRBRXRGATRCYP4F2
SCHEMBL30542431 0.88 CYP4F2 (0.40) RXRARXRBRXRGATRCYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4262807-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2023-10-25 — — EP disclosed
CN-116829151-A Azaquinazoline pan KRAS inhibitors 米拉蒂治疗股份有限公司 2023-09-29 — — CN disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
WO-2022132200-A1 AZAQUINAZOLINE PAN-KRAS INHIBITORS Mirati Therapeutics, Inc. (US) 2022-06-23 — — WO disclosed
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