SCHEMBL7906237

SCHEMBL7906237

Nc1nc2c(c(=O)[nH]1)=NCCN=2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.41
MAPT P10636 2/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CDK2 P24941 1/20 0.37
THRB P10828 2/20 0.36
MITF O75030 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HBB P68871 1/20 0.36
HIF1A Q16665 1/20 0.36
QTRT1 Q9BXR0 1/20 0.35
DYRK1A Q13627 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
PMP22 Q01453 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL27898126 0.86 PNP (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL21805968 0.69 PNP (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL22143 0.69 PNP (0.42) PNPMAPTCDK1CDK4CDK2
SCHEMBL29733326 0.68 PNP (0.41) PNPMAPTCDK1CDK4CDK2
SCHEMBL9154825 0.67 PNP (0.39) PNPMAPTCDK1CDK4CDK2
SCHEMBL29456668 0.66 HSD17B10 (0.44) MAPTHIF1AKDM4EALDH1A1HSD17B10
SCHEMBL27844165 0.64 PNP (0.37) PNPMAPTCDK1CDK4CDK2
Phosphoric Acid SCHEMBL6461187 0.63 PNP (0.36) PNPMAPTCDK1CDK4CDK2
SCHEMBL30776984 0.63 PNP (0.40) PNPMAPTCDK1CDK4CDK2
SCHEMBL1271646 0.60 CDK1 (0.56) PNPMAPTCDK1CDK4CDK2

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
US-6218134-B1 INTRODUCING LABELED SPECIFIC BINDING SUBSTANCE AND LIQUID TEST SAMPLE INTO MATRIX OF DEVICE, BINDING SUBSTANCE SPECIFICALLY COMPETES WITH ANALYTE FOR OTHER SPECIFIC BINDING SUBSTANCE, SIGNAL IS GENERATED WHICH CHANGES DISTRIBUTION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2001-04-17 US disclosed