SCHEMBL4373261

SCHEMBL4373261

Cc1cnc(-c2ccnc(Nc3cc(C(=O)O)ccc3C)n2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.53
AKR1C3 P42330 1/20 0.49
ABL1 P00519 11/20 0.48
BCR P11274 9/20 0.48
PDGFRA P16234 9/20 0.48
PDGFRB P09619 6/20 0.48
EGFR P00533 3/20 0.48
PRKCA P17252 3/20 0.48
KIT P10721 4/20 0.46
MAPK8 P45983 1/20 0.45
PIK3CG P48736 1/20 0.45
NR1I2 O75469 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
PTGS1 P23219 1/20 0.45
KDR P35968 1/20 0.45
CHRNA4 P43681 1/20 0.45
PDE3A Q14432 1/20 0.45
MAPK3 P27361 1/20 0.45

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
SCHEMBL3948017 0.86 ABL1 (0.56) CAMKK2ABL1BCRPDGFRAPDGFRB
SCHEMBL22169828 0.83 CAMKK2 (0.59) CAMKK2AKR1C3ABL1BCRPDGFRA
SCHEMBL22169873 0.82 CAMKK2 (0.74) CAMKK2ABL1BCRPDGFRAPDGFRB
SCHEMBL22169842 0.81 CAMKK2 (0.63) CAMKK2ABL1BCRPDGFRAPDGFRB
SCHEMBL29707254 0.81 ABL1 (0.71) CAMKK2ABL1BCRPDGFRAPDGFRB
SCHEMBL533540 0.81 ABL1 (0.71) CAMKK2ABL1BCRPDGFRAPDGFRB
SCHEMBL3949460 0.81 CAMKK2 (0.53) CAMKK2AKR1C3ABL1BCRPDGFRA
SCHEMBL4714996 0.80 CAMKK2 (0.51) CAMKK2AKR1C3ABL1BCRPDGFRA
SCHEMBL4373857 0.80 KDM4C (0.54) CAMKK2AKR1C3ABL1BCRPDGFRA
SCHEMBL22169872 0.80 CAMKK2 (0.64) CAMKK2ABL1BCRPDGFRAPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109991-A2 NOVEL HYDRAZIDE CONTAINING TYROSINE KINASE INHIBITORS SUN PHARMA ADVANCED RESEARCH COMPANY LTD., (IN) 2009-09-11 WO claimed