SCHEMBL3658627

SCHEMBL3658627

c1cc(NC2NCCN2)c2[nH]ncc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ NOS1 P29475 3/20 0.45
▸ CDK5 Q00535 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.40
▸ RET P07949 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ DAPK3 O43293 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CSF1R P07333 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 1/20 0.40
▸ LTK P29376 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40

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
SCHEMBL8302681 0.79 NOS1 (0.39) GLAL3MBTL1NOS1MAPTKDM4E
SCHEMBL6968276 0.79 MAPT (0.41) GLAL3MBTL1NOS1MAPTPTK2
SCHEMBL3007529 0.78 GLA (0.50) GLAL3MBTL1NOS1CDK5CDK2
Hydrochloric Acid SCHEMBL6977242 0.78 MAPT (0.40) GLAL3MBTL1NOS1MAPTPTK2
SCHEMBL6964834 0.76 MAPT (0.35) GLAL3MBTL1NOS1MAPT
SCHEMBL3008793 0.75 GLA (0.47) GLAL3MBTL1NOS1CDK5CDK2
SCHEMBL20239491 0.73 GLA (0.63) GLAL3MBTL1NOS1CDK5CDK2
SCHEMBL21863628 0.73 GLA (0.58) GLAL3MBTL1NOS1CDK5CDK2
SCHEMBL29520983 0.69 GLA (0.54) GLAL3MBTL1NOS1CDK5CDK2
SCHEMBL27762041 0.69 GLA (0.54) GLAL3MBTL1NOS1CDK5CDK2

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-2227464-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE Imperial Innovations Limited (GB) 2010-09-15 — — EP disclosed
WO-2009071906-A1 DERIVATIVES OF 1-[(IMIDAZOLIDIN-2-YL)IMINO)]INDAZOLE IMPERIAL INNOVATIONS LIMITED (GB) 2009-06-11 — — WO disclosed
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