SCHEMBL4376878

SCHEMBL4376878

CC(C)(C)N(Cc1ccc(C(=O)Nc2cccc(Nc3cc(-c4cccc5c4oc4ccccc45)ncn3)c2)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2C Q8TBX8 2/20 0.49
▸ PIP4K2A P48426 9/20 0.46
▸ PIP4K2B P78356 9/20 0.46
▸ PIKFYVE Q9Y2I7 1/20 0.46
▸ ADORA2A P29274 1/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CCNT1 O60563 5/20 0.40
▸ CDK9 P50750 5/20 0.40
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL4373522 0.95 PIP4K2C (0.46) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL4375737 0.94 PIP4K2C (0.47) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL4371518 0.94 ADORA2A (0.45) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL4386977 0.91 PIP4K2A (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVECCNT1
SCHEMBL1243748 0.91 PIP4K2A (0.52) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL4375779 0.89 PIP4K2C (0.50) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL4376212 0.89 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL28523222 0.89 PIP4K2C (0.44) PIP4K2CPIP4K2APIP4K2BPIKFYVECYP1A2
SCHEMBL4378671 0.89 ADORA2A (0.42) PIP4K2CPIP4K2APIP4K2BPIKFYVEADORA2A
SCHEMBL1243930 0.87 PIP4K2C (0.52) PIP4K2CPIP4K2APIP4K2BPIKFYVELMNA

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
EP-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 — — EP claimed
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