SCHEMBL13635804

SCHEMBL13635804

COc1c(C(=O)NCC2=COCC2)ccc2[nH]nc(-c3ccc4ccccc4c3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
LMNA P02545 1/20 0.35
LRRK2 Q5S007 2/20 0.35
ALPL P05186 1/20 0.35
EGLN1 Q9GZT9 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CSNK1D P48730 1/20 0.34
ROCK2 O75116 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APEX1 P27695 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 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
SCHEMBL13635937 0.85 MAPK10 (0.40) LMNADRD2DRD3JAK2JAK3
SCHEMBL4341067 0.83 RAB9A (0.46) LMNASMN1; SMN2MAPK1MAPT
SCHEMBL4341196 0.82 MEN1 (0.49) SMN1; SMN2MAPK1MAPT
SCHEMBL4334635 0.82 EGLN1 (0.39) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4333025 0.82 ALDH1A1 (0.41) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4334432 0.81 MEN1 (0.45) LMNAEGLN1ROCK2SMN1; SMN2MAPK1
SCHEMBL2856935 0.81 SMN1; SMN2 (0.54) ROCK2SMN1; SMN2APEX1MAPTROCK1
SCHEMBL2864362 0.81 GSK3B (0.44) KDRCDK4CCNA2CCND1CDK2
SCHEMBL13635355 0.80 KDM4E (0.42) KDRCDK4CCNA2CCND1CDK2
SCHEMBL4332180 0.80 ALDH1A1 (0.52) LMNASMN1; SMN2

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-1380576-B1 1H-INDAZOLE COMPOUNDS INHIBITING JNK EISAI R&D MAN CO LTD (JP) 2009-11-25 EP disclosed