SCHEMBL10270176

SCHEMBL10270176

Nc1ccc(NCCNc2nc(-c3cccc(C(F)(F)F)c3)cc3nccn23)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
KCNH2 Q12809 2/20 0.41
CTSK P43235 1/20 0.41
PTGS1 P23219 1/20 0.40
FYN P06241 1/20 0.40
DRD2 P14416 1/20 0.37
ADRA1A P35348 1/20 0.37
DRD3 P35462 1/20 0.37
XDH P47989 1/20 0.36
MAP4K2 Q12851 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CG P48736 1/20 0.36
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PIM1 P11309 1/20 0.35

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
SCHEMBL10270161 0.92 PTGS1 (0.34) SYKKCNH2CTSKPTGS1FYN
SCHEMBL12680508 0.87 CTSK (0.47) SYKKCNH2CTSKFYNKDM4E
SCHEMBL10269928 0.86 HRH4 (0.48) SYKFYNMAP4K2CDK2KDR
SCHEMBL10270290 0.86 MAP4K2 (0.40) SYKMAP4K2CDK2KDM4EALDH1A1
SCHEMBL10270004 0.85 PRKAB2 (0.35) KCNH2PTGS1MAP4K2
SCHEMBL10269941 0.84 METAP1 (0.35) PTGS1CTSC
SCHEMBL10270160 0.84 MAP4K2 (0.54) SYKFYNMAP4K2CDK2KDM4E
SCHEMBL12681575 0.84 SYK (0.39) SYKKCNH2CTSKFYNXDH
SCHEMBL10270292 0.83 SYK (0.39) SYKMAP4K2CDK2PIM1KDR
SCHEMBL10270744 0.83 MAP4K2 (0.45) SYKFYNMAP4K2CDK2KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137188-B1 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES Bayer Pharma AG (DE) 2012-06-06 EP disclosed
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed