SCHEMBL29022018

SCHEMBL29022018

COc1cc(-c2c[nH]c(-c3ccc4c(ccn4C)c3)n2)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.53
TUBB P07437 4/20 0.53
TUBA3C P0DPH7 4/20 0.53
TUBA1B P68363 4/20 0.53
TUBA4A P68366 4/20 0.53
TUBB4B P68371 4/20 0.53
TUBB3 Q13509 4/20 0.53
TUBB2A Q13885 4/20 0.53
TUBB8 Q3ZCM7 4/20 0.53
TUBA3E Q6PEY2 4/20 0.53
TUBA1A Q71U36 4/20 0.53
TUBA1C Q9BQE3 4/20 0.53
TUBB6 Q9BUF5 4/20 0.53
TUBB2B Q9BVA1 4/20 0.53
TUBB1 Q9H4B7 4/20 0.53
MAP3K11 Q16584 1/20 0.49
PDGFRB P09619 5/20 0.47
KIT P10721 2/20 0.46
KDR P35968 2/20 0.46
JAK2 O60674 1/20 0.46

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
SCHEMBL29022024 0.91 PDGFRB (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL408975 0.76 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL412608 0.76 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30442570 0.76 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL722944 0.76 KIT (0.70) MAP3K11KIT
SCHEMBL29021976 0.76 TUBB4A (0.69) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30387478 0.74 KDM4E (0.55) PDGFRBKIT
SCHEMBL26093677 0.74 KDM4E (0.55) PDGFRBKIT
SCHEMBL1167732 0.74 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL615894 0.74 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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
CN-116283961-A 4- (3, 4, 5-trimethoxyphenyl) -imidazo [4,5-c ] pyridine compound and application thereof 广东晨康生物科技有限公司 2023-06-23 CN disclosed