SCHEMBL14558342

SCHEMBL14558342

O=C(Nc1csc(-c2ccncc2)n1)Nc1nc(-c2ccccn2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 2/20 0.71
CDK5R1 Q15078 2/20 0.71
ADORA3 P0DMS8 6/20 0.64
WNT3A P56704 1/20 0.62
KDM4A O75164 1/20 0.57
KDM4B O94953 1/20 0.57
KDM5B Q9UGL1 1/20 0.57
ROCK1 Q13464 5/20 0.56
ROCK2 O75116 2/20 0.55
AGTR1 P30556 1/20 0.55
APOBEC3G Q9HC16 1/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL14558344 0.87 ROCK1 (0.64) CDK5CDK5R1WNT3AROCK1ROCK2
SCHEMBL5348176 0.83 CDK5 (1.00) CDK5CDK5R1ADORA3ROCK1RAB9A
SCHEMBL5343040 0.83 CYP19A1 (0.62) CDK5CDK5R1ROCK1ROCK2RAB9A
SCHEMBL5341105 0.80 CDK5 (0.81) CDK5CDK5R1ROCK1LMNAMAPT
SCHEMBL5345431 0.80 CDK5 (0.78) CDK5CDK5R1ROCK1LMNANPC1
SCHEMBL19783013 0.80 ADORA3 (0.78) ADORA3KDM4AKDM4BKDM5BAGTR1
SCHEMBL5337575 0.78 CYP19A1 (0.60) CDK5CDK5R1ADORA3ROCK1ROCK2
SCHEMBL5339323 0.78 LMNA (0.61) CDK5CDK5R1ADORA3ROCK1ROCK2
SCHEMBL18997305 0.77 ADORA3 (0.87) ADORA3WNT3AKDM4AKDM4BKDM5B
SCHEMBL5342327 0.77 CDK5 (0.67) CDK5CDK5R1ROCK1RAB9ALMNA

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-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed