SCHEMBL7997517

SCHEMBL7997517

COc1ccc(-c2cn3nc(N)nc3nc2Cl)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ADORA1 P30542 3/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42

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
SCHEMBL8009410 0.79 KDM4E (0.43) KDM4EALDH1A1RAB9ANPC1MEN1
SCHEMBL12909575 0.76 DHFR (0.51) KDM4EALDH1A1RAB9ANPC1ADORA1
SCHEMBL8012335 0.76 MAP4K4 (0.55) KDM4EALDH1A1RAB9ANPC1ADORA1
Hydrochloric Acid SCHEMBL937520 0.75 DHFR (0.50) KDM4EALDH1A1RAB9ANPC1ADORA1
SCHEMBL935790 0.75 PIK3CD (0.60) KDM4EALDH1A1RAB9ANPC1ADORA1
SCHEMBL937310 0.73 PIK3CG (0.50) KDM4EALDH1A1RAB9ANPC1ADORA1
SCHEMBL2432125 0.73 ADORA1 (0.65) KDM4EADORA1MEN1KMT2AHSD17B10
SCHEMBL8013138 0.72 F2RL3 (0.38) KDM4EALDH1A1RAB9ANPC1ADORA1
SCHEMBL3229939 0.69 PIK3CG (0.50) KDM4EALDH1A1RAB9ANPC1HSD17B10
SCHEMBL937347 0.69 PDE10A (0.51) KDM4EALDH1A1RAB9ANPC1ADORA1

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
WO-2000009508-A1 TRIAZOLOPYRIMIDINE DERIVATIVES NIHON BAYER AGROCHEM K.K. (DE) 2000-02-24 WO disclosed