SCHEMBL30104845

SCHEMBL30104845

CCOC(=O)c1cc2nc(C(F)(F)F)ccc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.50
BRD4 O60885 13/20 0.42
GNRHR P30968 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL30104792 0.83 ADORA3 (0.39) STING1BRD4
SCHEMBL29153650 0.83 MTNR1A (0.42) STING1
Hydrochloric Acid SCHEMBL30104853 0.81 JAK2 (0.44)
SCHEMBL16150685 0.80 MAPT (0.47) BRD4
SCHEMBL27341116 0.79 HPGD (0.43) STING1BRD4
SCHEMBL20141699 0.79 MTNR1A (0.59) CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL27311582 0.79 BRD4 (0.40) STING1BRD4
SCHEMBL15563812 0.79 DRD2 (0.44) BRD4
SCHEMBL16151412 0.78 GAA (0.43)
SCHEMBL24187458 0.77 MTNR1A (0.46) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396485-A PARP7 inhibitors 轩竹生物科技股份有限公司 2024-01-12 CN disclosed
WO-2022247839-A1 PARP7 INHIBITOR 山东轩竹医药科技有限公司 2022-12-01 WO disclosed