SCHEMBL30959175

SCHEMBL30959175

CC(C)c1c(Cl)cc2c(cnn2C2CCCCO2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ RET P07949 4/20 0.38
▸ KDM5B Q9UGL1 1/20 0.37
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ PDE9A O76083 1/20 0.34
▸ DGAT2 Q96PD7 1/20 0.34
▸ IDH1 O75874 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ ATR Q13535 1/20 0.32
▸ SLC6A3 Q01959 4/20 0.31
▸ PDE4D Q08499 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
SCHEMBL31691660 0.91 CYP4F2 (0.40) RXRARXRBRXRGRETKDM5B
SCHEMBL30959357 0.88 RXRA (0.39) RXRARXRBRXRGRETCYP4F2
SCHEMBL29474159 0.87 CYP4F2 (0.40) RXRARXRBRXRGRETKDM5B
SCHEMBL28954110 0.87 CYP4F2 (0.40) RXRARXRBRXRGRETKDM5B
SCHEMBL29937567 0.86 CYP4F2 (0.40) RXRARXRBRXRGRETCYP4F2
SCHEMBL21196016 0.86 CYP4F2 (0.40) RXRARXRBRXRGRETCYP4F2
SCHEMBL29804208 0.85 RXRA (0.41) RXRARXRBRXRGRETCYP4F2
SCHEMBL21196028 0.85 RXRA (0.41) RXRARXRBRXRGRETCYP4F2
SCHEMBL31642644 0.85 RXRA (0.39) RXRARXRBRXRGRETCYP4F2
SCHEMBL31127858 0.84 RXRA (0.41) RXRARXRBRXRGRETCYP4F2

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-4688788-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2026-02-11 — — EP disclosed
EP-4615847-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS Merck Sharp & Dohme LLC (US) 2025-09-17 — — EP disclosed
WO-2024209339-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-10-10 — — WO disclosed
WO-2024103010-A1 SMALL MOLECULE INHIBITORS OF KRAS PROTEINS MERCK SHARP & DOHME LLC (US) 2024-05-16 — — WO disclosed
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