SCHEMBL22488033

SCHEMBL22488033

Cc1cc(OCCO)nc(N2CCOCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 14/20 0.47
▸ RAF1 P04049 9/20 0.47
▸ PDGFRB P09619 1/20 0.47
▸ ARAF P10398 1/20 0.47
▸ DDR1 Q08345 1/20 0.47
▸ DDR2 Q16832 1/20 0.47
▸ CYP2C19 P33261 2/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TP53 P04637 1/20 0.41

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
SCHEMBL22488036 0.84 CYP2C19 (0.44) BRAFRAF1CYP2C19KMT2ACRHBP
SCHEMBL22488040 0.83 CYP2C19 (0.40) BRAFRAF1PDGFRBARAFDDR1
SCHEMBL22488583 0.83 CYP2C19 (0.40) BRAFRAF1PDGFRBARAFDDR1
SCHEMBL22488000 0.82 BRAF (0.46) BRAFCYP2C19KMT2ACRHBPCRHR2
SCHEMBL22488304 0.82 ATR (0.47) BRAFRAF1CYP2C19KMT2ACRHBP
SCHEMBL22487967 0.81 CYP2C19 (0.44) BRAFRAF1CYP2C19KMT2ACRHBP
SCHEMBL22488429 0.81 CYP2C19 (0.43) BRAFRAF1CYP2C19KMT2ACRHBP
SCHEMBL22488325 0.80 CYP2C19 (0.42) CYP2C19KMT2ACRHBPCRHR2ALDH1A1
SCHEMBL24885817 0.78 BRAF (0.58) BRAFRAF1PDGFRBARAFDDR1
SCHEMBL30078044 0.78 BRAF (0.58) BRAFRAF1PDGFRBARAFDDR1

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-2020198058-A1 INHIBITORS OF RAF KINASES KINNATE BIOPHARMA INC. (US) 2020-10-01 — — WO disclosed
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