SCHEMBL30999902

SCHEMBL30999902

COC(=O)c1ccnc(-c2nc(C)co2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
KDM6B O15054 2/20 0.57
KDM5C P41229 2/20 0.57
KDM4C Q9H3R0 2/20 0.57
KDM2A Q9Y2K7 2/20 0.57
KDM3A Q9Y4C1 2/20 0.57
JMJD6 Q6NYC1 4/20 0.51
KDM5B Q9UGL1 1/20 0.47
ALOX15 P16050 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK1 Q13464 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL18038178 1.00 KDM4E (0.57) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30162994 0.85 KDM5C (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29218273 0.85 KDM5C (0.52) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL20029719 0.83 KDM4E (0.53) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL18038188 0.83 KDM4E (0.44) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL1758980 0.81 KDM4E (0.57) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL29218201 0.80 KDM4E (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL30163064 0.80 KDM4E (0.63) KDM4EKDM6BKDM5CKDM4CKDM2A
SCHEMBL27137907 0.80 NPC1 (0.50) NPC1RAB9A
SCHEMBL70279 0.79 KDM4E (0.86) KDM4EKDM6BKDM5CKDM4CKDM2A

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-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed