SCHEMBL7856992

SCHEMBL7856992

O=C(O)c1cc(-c2c[nH]nc2-c2ccccc2F)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.40
PIM1 P11309 3/20 0.39
KMO O15229 1/20 0.39
LDHA P00338 2/20 0.39
KDM5A P29375 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM5B Q9UGL1 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM6B O15054 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
BBOX1 O75936 1/20 0.38
MAPT P10636 1/20 0.38
KDM5C P41229 1/20 0.38
ASPH Q12797 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
TET2 Q6N021 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38

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
SCHEMBL5255057 0.85 KMO (0.43) KMOKDM5AKDM4CKDM5BKDM4E
SCHEMBL7856280 0.77 MAP4K1 (0.47) PIM1CDC7
SCHEMBL5349844 0.76 TGFBR1 (0.40) MAPTTGFBR1
SCHEMBL373516 0.73 TGFBR1 (0.59) PIM1TGFBR1AXL
SCHEMBL5259701 0.73 GRM2 (0.42) CDC7
SCHEMBL5253905 0.72 MAP2K4 (0.44) KDM4EALDH1A1MAPTLMNATGFBR1
SCHEMBL5256223 0.71 HIPK4 (0.52)
SCHEMBL13960027 0.69 MCL1 (0.54) KMOLDHAKDM5AKDM4CKDM5B
SCHEMBL5457110 0.69 DYRK1A (0.43) KMOKDM4EALDH1A1MAPT
SCHEMBL27566240 0.69 TGFBR1 (0.53) PIM1KDM4EALDH1A1MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144403-A1 SUBSTITUED PYRAZOLES AS P38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2001-10-17 EP disclosed
WO-2000031063-A1 SUBSTITUTED PYRAZOLES AS p38 KINASE INHIBITORS G.D. SEARLE & CO. (US) 2000-06-02 WO disclosed