SCHEMBL8862549

SCHEMBL8862549

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](F)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.83
▸ P2RY2 P41231 3/20 0.83
▸ SRC P12931 2/20 0.83
▸ SMN1; SMN2 Q16637 2/20 0.83
▸ DNPH1 O43598 1/20 0.83
▸ PRKAB2 O43741 1/20 0.83
▸ TRPM2 O94759 1/20 0.83
▸ LDHA P00338 1/20 0.83
▸ ADRB2 P07550 1/20 0.83
▸ FBP1 P09467 1/20 0.83
▸ ADORA1 P30542 1/20 0.83
▸ PRKAG1 P54619 1/20 0.83
▸ PRKAA2 P54646 1/20 0.83
▸ PDE4D Q08499 1/20 0.83
▸ KCNH2 Q12809 1/20 0.83
▸ PRKAA1 Q13131 1/20 0.83
▸ PDE3A Q14432 1/20 0.83
▸ TAS1R3 Q7RTX0 1/20 0.83
▸ TAS1R1 Q7RTX1 1/20 0.83
▸ P2RY11 Q96G91 1/20 0.83

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
SCHEMBL26361720 1.00 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22402643 1.00 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22393014 1.00 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8862545 1.00 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL24254557 0.92 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL26255276 0.92 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL26255761 0.92 P2RY1 (0.71) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL31448299 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8862541 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8836314 0.92 P2RY1 (0.83) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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
JP-1022895-A — — None — — JP disclosed
US-5658890-A INHIBITORS OF INOSINE MONOPHOSPHATE DEHYDROGENASE SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1997-08-19 — — US disclosed
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