SCHEMBL24876403

SCHEMBL24876403

Cc1c(F)cc2[nH]ncc2c1I

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.42
NOS1 P29475 2/20 0.42
CDK2 P24941 4/20 0.41
FLT3 P36888 4/20 0.41
CCNA1 P78396 4/20 0.41
METAP2 P50579 8/20 0.38
TDO2 P48775 1/20 0.36
CCNT1 O60563 3/20 0.36
CDK1 P06493 3/20 0.36
CCNB1 P14635 3/20 0.36
CCNA2 P20248 3/20 0.36
CCNE1 P24864 3/20 0.36
CDK9 P50750 3/20 0.36
CYP1A2 P05177 3/20 0.35
PIM3 Q86V86 1/20 0.35
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL24777034 0.83 IDO1 (0.46) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL27358505 0.83 IDO1 (0.46) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL13676393 0.81 IDO1 (0.44) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL30641259 0.79 TDO2 (0.43) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL21379129 0.79 TDO2 (0.43) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL13692760 0.78 NOS1 (0.44) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL23588714 0.76 CDK2 (0.41) IDO1CDK2FLT3CCNA1METAP2
SCHEMBL23588717 0.76 METAP2 (0.40) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL24854121 0.76 IDO1 (0.40) IDO1NOS1CDK2FLT3CCNA1
SCHEMBL31041019 0.75 IDO1 (0.43) IDO1NOS1CDK2FLT3CCNA1

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-2023283213-A1 TRICYCLIC COMPOUNDS AS INHIBITORS OF KRAS INCYTE CORPORATION (US) 2023-01-12 WO disclosed