SCHEMBL6589392

SCHEMBL6589392

COc1ccc2c(c1)c(-c1n[nH]c(=O)n1-c1cn(CCCN)c3ccc(F)cc13)cn2C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.41
QPCT Q16769 6/20 0.41
ADRB2 P07550 1/20 0.38
PIM1 P11309 1/20 0.38
CAMK2D Q13557 1/20 0.38
PLK1 P53350 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SYK P43405 1/20 0.36
JAK2 O60674 1/20 0.35
LCK P06239 1/20 0.35
IGF1R P08069 1/20 0.35
GSK3A P49840 1/20 0.35
CDK7 P50613 1/20 0.35
BTK Q06187 1/20 0.35
LRRK2 Q5S007 1/20 0.35
AURKB Q96GD4 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
Trifluoroacetic Acid SCHEMBL6591483 0.94 GSK3B (0.37) GSK3BQPCTADRB2PIM1CAMK2D
SCHEMBL6588981 0.93 CAMK2D (0.42) GSK3BPIM1CAMK2DPLK1JAK2
Hydrochloric Acid SCHEMBL6588778 0.92 CAMK2D (0.42) GSK3BPIM1CAMK2DPLK1JAK2
SCHEMBL6586537 0.91 PIM1 (0.40) GSK3BPIM1CAMK2DPLK1
SCHEMBL6589065 0.90 CAMK2D (0.40) GSK3BQPCTPIM1CAMK2DPLK1
SCHEMBL6590083 0.90 PIM1 (0.39) GSK3BPIM1CAMK2DPLK1
Hydrochloric Acid SCHEMBL6589219 0.89 CAMK2D (0.39) GSK3BQPCTPIM1CAMK2DPLK1
Hydrochloric Acid SCHEMBL6598884 0.89 CAMK2D (0.42) GSK3BQPCTPIM1CAMK2DPLK1
Trifluoroacetic Acid SCHEMBL6588085 0.89 GSK3B (0.36) GSK3BQPCTPIM1CAMK2DPLK1
SCHEMBL6588432 0.88 GSK3B (0.42) GSK3BPIM1CAMK2DPLK1

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-1183252-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS ASTRAZENECA AB (SE) 2004-02-18 EP disclosed
US-6492406-B1 PROTEIN KINASE C INHIBITORS; ANTIINFLAMMATORY AND IMMUNO-SUPPRESSIVE AGENTS ASTRAZENECA AB (SE) 2002-12-10 US disclosed