SCHEMBL9639791

SCHEMBL9639791

Nc1ccccc1C(=O)c1nc(C(=O)c2ccccc2N)c2[nH]cnc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ DPP4 P27487 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CDK2 P24941 5/20 0.36
▸ CDK1 P06493 4/20 0.36
▸ CCNB1 P14635 3/20 0.36
▸ CCNA2 P20248 3/20 0.36
▸ CCNA1 P78396 3/20 0.36
▸ BRAF P15056 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ GDA Q9Y2T3 1/20 0.36
▸ MGMT P16455 3/20 0.35
▸ PIN1 Q13526 2/20 0.35
▸ LMNA P02545 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
SCHEMBL9639625 0.77 ALDH1A1 (0.46) GAAMAPTTP53ALOX15HSD17B10
SCHEMBL134909 0.71 PDPK1 (0.49) DPP4ENPP1CDK2CDK1CCNB1
SCHEMBL4845432 0.71 CDK2 (0.53) DPP4HSD17B10ENPP1CDK2CDK1
SCHEMBL28141587 0.69 DPP4 (0.42) DPP4HSD17B10CDK2PNPPDPK1
SCHEMBL28758673 0.68 MGMT (0.53) DPP4HSD17B10ENPP1CDK2CDK1
SCHEMBL27946157 0.68 MAPT (0.57) GAAMAPTHDAC1TP53ALOX15
SCHEMBL9952179 0.66 GAA (0.53) GAAMAPTTP53ALOX15HSD17B10
SCHEMBL112507 0.65 MAPT (0.74) GAAMAPTTP53ALOX15HSD17B10
SCHEMBL30790667 0.65 MAPT (0.74) GAAMAPTTP53ALOX15HSD17B10
Hydrochloric Acid SCHEMBL11745887 0.63 MAPT (0.71) GAAMAPTTP53ALOX15HSD17B10

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-5153180-A Used for treating aids BURROUGHS WELLCOME CO. 1992-10-06 — — US disclosed
Send feedback