SCHEMBL16494313

SCHEMBL16494313

O=C1Cc2ccc(CNc3nccc(NCc4ccc5cc[nH]c5c4)n3)cc2N1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.40
▸ PTK2B Q14289 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CDK9 P50750 1/20 0.40
▸ ABL1 P00519 1/20 0.38
▸ BCL6 P41182 2/20 0.36
▸ PAK4 O96013 1/20 0.36
▸ PAK1 Q13153 1/20 0.36
▸ BACE1 P56817 3/20 0.36
▸ CMA1 P23946 2/20 0.34
▸ AHR P35869 2/20 0.34
▸ NLRP3 Q96P20 1/20 0.34
▸ METTL3 Q86U44 1/20 0.34
▸ METTL14 Q9HCE5 1/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ CRBN Q96SW2 1/20 0.33
▸ EIF2AK2 P19525 1/20 0.33
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33

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
SCHEMBL16494867 1.00 PTK2 (0.40) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL16495191 0.93 PTK2 (0.40) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL16494581 0.93 PTK2 (0.40) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL16495061 0.92 PTK2 (0.46) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL16494444 0.92 PTK2 (0.46) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL16494497 0.85 PTK2 (0.45) PTK2PTK2BABL1BCL6PAK4
SCHEMBL2598604 0.85 PTK2 (0.45) PTK2PTK2BABL1BCL6PAK4
SCHEMBL12185474 0.85 CCNT1 (0.46) CCNT1CDK9ABL1PAK4PAK1
SCHEMBL16494405 0.81 JAK2 (0.48) PTK2PTK2BCCNT1CDK9ABL1
SCHEMBL12185447 0.81 PAK1 (0.44) CCNT1CDK9ABL1PAK4PAK1

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-2395001-A1 Novel pyrimidine derivatives Chemilia AB (SE) 2011-12-14 — — EP disclosed
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