SCHEMBL27310331

SCHEMBL27310331

NCc1ccc(NC2CCC(F)(F)CC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
IDH1 O75874 12/20 0.41
HCAR3 P49019 3/20 0.41
CCNT1 O60563 1/20 0.39
IDH2 P48735 4/20 0.37
MAPK8 P45983 1/20 0.36

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
SCHEMBL508376 0.83 HCAR3 (0.53) CYP11B1CYP11B2HCAR3
SCHEMBL14147328 0.78 CYP11B1 (0.47) CYP11B1CYP11B2HCAR3CCNT1
SCHEMBL31473372 0.73 CCR6 (0.52)
SCHEMBL27296081 0.73 CCR6 (0.52)
SCHEMBL27310330 0.73 NAMPT (0.44) CYP11B1CYP11B2IDH1HCAR3IDH2
SCHEMBL31127024 0.73 IDH1 (0.43) IDH1CCNT1IDH2
SCHEMBL21143821 0.73 IDH1 (0.43) IDH1CCNT1IDH2
SCHEMBL31591606 0.72 LOX (0.43)
SCHEMBL4342306 0.72 LOX (0.43)
SCHEMBL24415724 0.71 CYP11B1 (0.58) CYP11B1CYP11B2HCAR3

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-2024029489-A1 KIT INHIBITORS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF MODULUS DISCOVERY, INC. (JP) 2024-02-08 WO disclosed