SCHEMBL4635385

SCHEMBL4635385

CSc1nc(-c2ccncc2)nc(NCCCCO)c1C(=O)Nc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
LATS1 O95835 3/20 0.39
KCNH3 Q9ULD8 2/20 0.38
NAMPT P43490 1/20 0.38
LATS2 Q9NRM7 2/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK14 Q16539 2/20 0.37
PDE4B Q07343 1/20 0.37
PDE5A O76074 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 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
SCHEMBL1704061 0.93 LATS1 (0.43) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL1704731 0.85 CYP3A4 (0.43) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL2953212 0.85 LATS1 (0.43) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL1704446 0.85 MAPK1 (0.44) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL2950038 0.84 KMT2A (0.46) MEN1KMT2ALMNAPOLBNAMPT
SCHEMBL4452111 0.84 LATS1 (0.42) MEN1KMT2ALATS1NAMPTLATS2
SCHEMBL1705388 0.84 RAB9A (0.43) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL2956022 0.83 MEN1 (0.46) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL2952980 0.81 CCNC (0.42) MEN1KMT2ALMNAPOLBLATS1
SCHEMBL2956044 0.80 LATS1 (0.48) MEN1KMT2ALMNAPOLBLATS1

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-1931642-A2 NOVEL PYRIMIDINE CARBOXAMIDES Orchid Research Laboratories Limited (IN) 2008-06-18 EP claimed
WO-2007031829-A2 NOVEL PYRIMIDINE CARBOXAMIDES ORCHID RESEARCH LABORATORIES LIMITED (IN) 2007-03-22 WO claimed