SCHEMBL27462320

SCHEMBL27462320

Cc1cc(C(=O)O)[nH]n1.Cn1nc(C(C)(C)C)cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRN P28799 6/20 0.68
SORT1 Q99523 6/20 0.68
KDM4E B2RXH2 1/20 0.68
ALPL P05186 3/20 0.40
MAPT P10636 1/20 0.39
CA9 Q16790 2/20 0.37
CTSL P07711 2/20 0.37
NPC1 O15118 1/20 0.37
ALOX15 P16050 1/20 0.36
AURKA O14965 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GALR3 O60755 1/20 0.35

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
SCHEMBL1572486 0.83 GRN (1.00) GRNSORT1KDM4EMAPTCTSL
Hydrochloric Acid SCHEMBL8760885 0.81 GRN (0.96) GRNSORT1KDM4EMAPTCTSL
SCHEMBL27489685 0.79 CA9 (0.40) GRNSORT1KDM4EALPLCA9
SCHEMBL27464512 0.76 ALPL (0.55) ALPLCA9ALOX15
SCHEMBL1423106 0.76
Hydrochloric Acid SCHEMBL23780332 0.74 ALPL (0.53) ALPLCA9ALOX15
Ethane SCHEMBL4702984 0.74 ALPL (0.53) ALPLCA9ALOX15
SCHEMBL894643 0.71 ALPL (0.50) GRNSORT1KDM4EALPLCA9
Hydrochloric Acid SCHEMBL6444454 0.70 ALPL (0.49) GRNSORT1KDM4EALPLCA9
SCHEMBL8260077 0.70 GRN (0.73) GRNSORT1KDM4EMAPTCTSL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1234693-C Indazol compound for inhibiting protein kinase and medicine composition and their application AGOURON PHARMA (US) 2006-01-04 CN disclosed
CN-1495171-A Indazol compound for inhibiting protein kinase and medicine composition and their application ������ҩ�����޹�˾ 2004-05-12 CN disclosed
CN-1137884-C Indazole compounds and pharmaceutical compositions that inhibit protein kinases and methods of use thereof ������ҩ�����޹�˾ 2004-02-11 CN disclosed
CN-1374950-A Indazole compounds and pharmaceutical compositions for inhibiting protein kinases and their use AGOURON PHARMACETUICALS INC (US) 2002-10-16 CN disclosed