SCHEMBL4409376

SCHEMBL4409376

c1ccc2cc(Nc3ncc4nc[nH]c4n3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
CDK1 P06493 8/20 0.46
FLT3 P36888 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
GAS6 Q14393 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CDK2 P24941 2/20 0.43
SYK P43405 1/20 0.43
IGF1R P08069 1/20 0.43
GRM4 Q14833 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
CDK4 P11802 1/20 0.41
ULK1 O75385 1/20 0.41
ULK2 Q8IYT8 1/20 0.41

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
SCHEMBL3026520 0.83 CDK2 (0.60) KDRCDK1FLT3CYP3A4CDK2
SCHEMBL8855125 0.79 CDK2 (0.72) KDRADORA3CDK1FLT3TYRO3
Hydrochloric Acid SCHEMBL7659966 0.78 CDK1 (0.58) CDK1FLT3CDK2SYKIGF1R
SCHEMBL3014784 0.77 SYK (0.60) CDK1CYP3A4CDK2SYK
SCHEMBL3016793 0.74 CDK1 (0.57) KDRCDK1FLT3TYRO3CDK2
SCHEMBL4551624 0.74 FLT3 (0.44) KDRCDK1FLT3TYRO3MERTK
SCHEMBL31069495 0.72 CDK1 (0.63) CDK1FLT3CDK2CDK4ULK1
SCHEMBL27113852 0.72 GSK3B (0.55) SYK
SCHEMBL21914609 0.72 ALDH1A1 (0.65) KDRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL25016032 0.71 RPS6KA3 (0.50) CDK1SYK

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-5654255-A MIXTURE OF A N,N-DIMETHYLPIPERIDINIUM SALT, HEXITOL AND CYTOKININ; COTTON PLANTS BASF CORPORATION (US) 1997-08-05 US claimed
US-7634870-B1 Cytokinin enhancement of cotton THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2009-12-22 US disclosed