SCHEMBL30362033

SCHEMBL30362033

CC1(C)C[C@@H](Cn2cc(-c3ncc4cc(-c5ccccc5)oc4n3)c(-c3ccc(F)cc3)n2)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.37
S1PR1 P21453 1/20 0.35
PTGS2 P35354 3/20 0.33
TSHR P16473 1/20 0.31
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
FAAH O00519 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
SCHEMBL30361899 1.00 ACVR1 (0.37) ACVR1S1PR1PTGS2TSHRCKS1B
SCHEMBL30362051 1.00 ACVR1 (0.37) ACVR1S1PR1PTGS2TSHRCKS1B
SCHEMBL30362058 0.84 S1PR1 (0.40) ACVR1S1PR1PTGS2CKS1BSKP1
SCHEMBL26135194 0.83 EGFR (0.41) ACVR1PTGS2TSHR
SCHEMBL26104352 0.83 EGFR (0.41) ACVR1PTGS2TSHR
SCHEMBL26134025 0.83 EGFR (0.41) ACVR1PTGS2TSHR
SCHEMBL30361987 0.82 S1PR1 (0.44) ACVR1S1PR1PTGS2AKT1AKT2
SCHEMBL30361895 0.82 PDE10A (0.40) S1PR1PTGS2
SCHEMBL30361897 0.81 PTGS2 (0.38) S1PR1PTGS2FAAH
SCHEMBL30361821 0.80 CSNK1D (0.33) S1PR1PTGS2AKT1AKT2

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
WO-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed