SCHEMBL14313258

SCHEMBL14313258

CCc1cn(NC(=O)Oc2cnc(-c3nccs3)nc2C)c2ncc(F)cc12

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 1/20 0.31
▸ HPGDS O60760 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31
▸ TUBB8 Q3ZCM7 1/20 0.31
▸ TUBA3E Q6PEY2 1/20 0.31
▸ TUBA1A Q71U36 1/20 0.31
▸ TUBA1C Q9BQE3 1/20 0.31
▸ TUBB6 Q9BUF5 1/20 0.31
▸ TUBB2B Q9BVA1 1/20 0.31
▸ TUBB1 Q9H4B7 1/20 0.31
▸ ADORA1 P30542 1/20 0.30

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
SCHEMBL12084171 0.85 HPGDS (0.44) HTR3AHPGDSTUBB4ATUBBTUBA3C
SCHEMBL14313123 0.83 HPGDS (0.48) HPGDS
SCHEMBL14313340 0.81 MAPK9 (0.35) HPGDS
SCHEMBL14312869 0.80 CES2 (0.31) —
SCHEMBL14312794 0.80 HPGDS (0.31) HPGDS
SCHEMBL14313036 0.80 HPGDS (0.51) HPGDSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14312689 0.78 HPGDS (0.35) HPGDSADORA1
SCHEMBL14313003 0.78 HPGDS (0.39) HPGDSTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14313274 0.77 HPGDS (0.33) HPGDS
SCHEMBL14312631 0.77 KDM4E (0.31) —

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
EP-2142516-B1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI SA (FR) 2012-12-26 — — EP claimed
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