SCHEMBL583345

SCHEMBL583345

CNc1cc(Nc2cccc(CNCCCN(C)C)c2)ncn1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TNNI3K Q59H18 4/20 0.46
EGFR P00533 8/20 0.43
TERT O14746 2/20 0.42
LCK P06239 1/20 0.39
MAP4K4 O95819 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ADORA2A P29274 1/20 0.37
KDR P35968 1/20 0.37
MAPK14 Q16539 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
SCHEMBL374274 0.80 TNNI3K (0.53) TNNI3KEGFRMEN1NPC1RAB9A
SCHEMBL374544 0.80 TNNI3K (0.48) KDM4EPOLBMAPTMAPK1TNNI3K
SCHEMBL374315 0.73 TNNI3K (0.51) TNNI3KEGFRCDK2MEN1NPC1
SCHEMBL27523685 0.73 EGFR (0.51) KDM4EPOLBMAPTMAPK1EGFR
SCHEMBL16136713 0.73 TERT (0.54) TERTCCNA2CDK2
Hydrochloric Acid SCHEMBL29778291 0.72 TERT (0.52) TERTCCNA2CDK2
SCHEMBL374904 0.71 TNNI3K (0.57) TNNI3KEGFRMEN1NPC1RAB9A
SCHEMBL11983511 0.70 TERT (0.51) KDM4EMAPK1TERTCCNA2CDK2
SCHEMBL27208120 0.69 TERT (0.50) TERTMAP4K4CCNA2CDK2
SCHEMBL374504 0.69 EGFR (0.64) KDM4EMAPK1TNNI3KEGFRJAK3

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-2418205-A1 Pyrimidine urea derivatives as kinase inhibitors Novartis AG (CH) 2012-02-15 EP disclosed