SCHEMBL9705295

SCHEMBL9705295

Nc1nc2nc[nH]c2c(=O)n1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.40
CDK2 P24941 3/20 0.39
CDK1 P06493 3/20 0.39
PIN1 Q13526 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNA2 P20248 2/20 0.39
CYP2C19 P33261 2/20 0.39
CCNA1 P78396 2/20 0.39
LMNA P02545 1/20 0.39
MGMT P16455 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
DPP4 P27487 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9705493 0.84 CDK2 (0.39) PNPCDK2CDK1PIN1CYP1A2
SCHEMBL5277356 0.79 PNP (0.45) PNPCDK2CDK1PIN1CYP1A2
SCHEMBL9705280 0.78 PARP1 (0.36) PNPTSHRADORA3ALDH1A1HPGD
SCHEMBL1286947 0.76 MAPK1 (0.51) PNPCDK2CDK1PIN1CYP1A2
SCHEMBL6271672 0.76 PNP (0.42) PNPCDK2CDK1PIN1CYP1A2
Hydrochloric Acid SCHEMBL21799343 0.75 MAPK1 (0.50) PNPCDK2CDK1PIN1CYP1A2
SCHEMBL18250 0.73 PNP (0.66) PNPPOLBADORA3
SCHEMBL28806307 0.73 TRPA1 (0.31)
SCHEMBL5694191 0.72 NPC1 (0.51) PNPCDK2CDK1PIN1CYP1A2
SCHEMBL22090217 0.72 PNP (0.42) PNPCDK2CDK1PIN1CYP1A2

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
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed