SCHEMBL29589173

SCHEMBL29589173

COc1cc(/C=C2\CCn3c2nc2c(cnn2C)c3=O)cc(OC)c1OC

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.89
▸ ALOX5 P09917 2/20 0.55
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ NME2 P22392 4/20 0.51
▸ TUBB4A P04350 6/20 0.48
▸ TUBB P07437 6/20 0.48
▸ TUBA3C P0DPH7 6/20 0.48
▸ TUBA1B P68363 6/20 0.48
▸ TUBA4A P68366 6/20 0.48
▸ TUBB4B P68371 6/20 0.48
▸ TUBB3 Q13509 6/20 0.48
▸ TUBB2A Q13885 6/20 0.48
▸ TUBB8 Q3ZCM7 6/20 0.48
▸ TUBA3E Q6PEY2 6/20 0.48
▸ TUBA1A Q71U36 6/20 0.48
▸ TUBA1C Q9BQE3 6/20 0.48
▸ TUBB6 Q9BUF5 6/20 0.48
▸ TUBB2B Q9BVA1 6/20 0.48
▸ TUBB1 Q9H4B7 6/20 0.48

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
SCHEMBL30775597 0.94 KDR (1.00) KDRALOX5RAB9ANPC1NME2
SCHEMBL29019790 0.94 KDR (1.00) KDRALOX5RAB9ANPC1NME2
SCHEMBL30775598 0.85 KDR (0.84) KDRALOX5RAB9ANPC1NME2
SCHEMBL29140308 0.85 KDR (0.84) KDRALOX5RAB9ANPC1NME2
SCHEMBL29589519 0.85 KDR (0.66) KDRALOX5RAB9ANPC1NME2
SCHEMBL29589513 0.83 KDR (0.63) KDRALOX5RAB9ANPC1NME2
SCHEMBL29140340 0.83 KDR (0.79) KDRALOX5RAB9ANPC1NME2
SCHEMBL30775600 0.82 KDR (0.79) KDRALOX5RAB9ANPC1NME2
SCHEMBL29589238 0.81 KDR (0.59) KDRALOX5RAB9ANPC1MEN1
SCHEMBL29589174 0.81 KDR (0.59) KDRALOX5RAB9ANPC1NME2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478549-B Pyrazolo [3,4-d ] pyrrolo [1,2-a ] pyrimidinone arylene derivative and application thereof 中国科学院新疆理化技术研究所 2023-06-23 — — CN claimed
CN-114478549-A Pyrazolo [3,4-d ] pyrrolo [1,2-a ] pyrimidone arylene derivative and application thereof 中国科学院新疆理化技术研究所 2022-05-13 — — CN claimed
CN-114478549-B Pyrazolo [3,4-d ] pyrrolo [1,2-a ] pyrimidinone arylene derivative and application thereof 中国科学院新疆理化技术研究所 2023-06-23 — — CN disclosed
CN-114478549-A Pyrazolo [3,4-d ] pyrrolo [1,2-a ] pyrimidone arylene derivative and application thereof 中国科学院新疆理化技术研究所 2022-05-13 — — CN disclosed
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