SCHEMBL6765135

SCHEMBL6765135

Clc1ccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
AGPAT2 O15120 1/20 0.50
PIK3CA P42336 5/20 0.49
MAPK8 P45983 5/20 0.49
MAPK9 P45984 5/20 0.49
MAPK10 P53779 5/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 8/20 0.48
MAPK14 Q16539 1/20 0.47
PDE5A O76074 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ABL1 P00519 2/20 0.43
YES1 P07947 2/20 0.43
NTRK1 P04629 1/20 0.43
PIM1 P11309 1/20 0.43
KDR P35968 1/20 0.43
HIPK1 Q86Z02 1/20 0.43

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
SCHEMBL5759348 0.90 MAPK1 (0.53) MAPTPIK3CAMAPK8MAPK9MAPK10
SCHEMBL5757271 0.87 MAPK1 (0.54) TP53MAPTPIK3CAMAPK8MAPK9
SCHEMBL5757148 0.87 LMNA (0.52) TP53MAPTPIK3CAMAPK8MAPK9
SCHEMBL6767084 0.87 PIK3CA (0.49) TP53MAPTPIK3CAMAPK8MAPK9
SCHEMBL6765837 0.86 ABCG2 (0.51) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5761732 0.84 ABCG2 (0.48) PIK3CAMAPK8MAPK9MAPK10MAPK1
SCHEMBL5759397 0.84 NPC1 (0.57) MAPTPIK3CAMAPK8MAPK9MAPK10
SCHEMBL6771783 0.82 RAB9A (0.54) MAPTPIK3CAMAPK8MAPK9MAPK10
SCHEMBL5758412 0.82 MAPK1 (0.48) MAPTPIK3CAMAPK8MAPK9MAPK10
SCHEMBL4697024 0.82 MAPK1 (0.56) PIK3CAMAPK8MAPK9MAPK10MAPK1

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
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US disclosed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed