SCHEMBL25819223

SCHEMBL25819223

CCCCc1nc2c(NC(C)(C)C)nc3cc(C4=CCN(C)CC4)sc3c2n1CC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.36
GLS O94925 2/20 0.34
JAK1 P23458 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABL1 P00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RIN1 Q13671 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RORC P51449 1/20 0.32
GPR119 Q8TDV5 7/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL31270874 1.00 KIT (0.36) KITGLSJAK1MEN1KMT2A
SCHEMBL25254391 0.90 TLR7 (0.34) CYP3A4
SCHEMBL31025946 0.90 KIT (0.39) KITJAK1GPR119
SCHEMBL25257828 0.90 KIT (0.39) KITJAK1GPR119
SCHEMBL31270679 0.90 KIT (0.37) KITJAK1LMNATP53MAPT
SCHEMBL25301919 0.90 KIT (0.37) KITJAK1LMNATP53MAPT
SCHEMBL25256681 0.89 GPR119 (0.34) KITGLSRORCGPR119
SCHEMBL31270806 0.89 GPR119 (0.34) KITGLSRORCGPR119
SCHEMBL31270695 0.89 KIT (0.38) KITTDP1GPR119LMNATP53
SCHEMBL25819488 0.88 KDM4E (0.36) KITTDP1RORCLMNATP53

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-2023125121-A1 TRICYCLIC COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-07-06 WO disclosed