SCHEMBL26645207

SCHEMBL26645207

Cc1cc(Cl)ccc1-c1nn2c(c1-c1ccncc1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 4/20 0.42
▸ CSNK1E P49674 4/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ CYP3A4 P08684 2/20 0.38
▸ CYP3A5 P20815 2/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ GPR119 Q8TDV5 2/20 0.37
▸ RORC P51449 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ STS P08842 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL26645116 0.90 CYP3A4 (0.45) CSNK1DCSNK1EMEN1KMT2ADPP4
SCHEMBL26645098 0.89 CYP3A4 (0.43) CSNK1DCSNK1EMEN1KMT2ACYP3A4
SCHEMBL30622820 0.89 CYP3A4 (0.43) CSNK1DCSNK1EMEN1KMT2ACYP3A4
SCHEMBL26645283 0.89 CSNK1D (0.40) CSNK1DCSNK1EMEN1KMT2ADPP4
SCHEMBL26645019 0.88 CSNK1D (0.47) CSNK1DCSNK1EMEN1KMT2ACYP3A4
SCHEMBL26645394 0.86 CSNK1D (0.42) CSNK1DCSNK1EGPR119CKS1BSKP1
SCHEMBL26645443 0.86 CSNK1E (0.43) CSNK1DCSNK1EMEN1KMT2ACYP3A4
SCHEMBL30622922 0.86 CSNK1E (0.43) CSNK1DCSNK1EMEN1KMT2ACYP3A4
SCHEMBL26645805 0.85 CSNK1E (0.42) CSNK1DCSNK1EMEN1KMT2AGPR119
SCHEMBL26645619 0.85 CSNK1D (0.44) CSNK1DCSNK1EMEN1KMT2AGPR119

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-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 — — WO disclosed
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