SCHEMBL30499520

SCHEMBL30499520

Nc1nccc2c(-c3ccc([N+](=O)[O-])cc3)ncn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
IDO1 P14902 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAD51 Q06609 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL30367634 0.69 MAPT (0.41) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL2831148 0.69 ALDH1A1 (0.64) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL28417525 0.67 MAPT (0.51) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL24096640 0.67 RET (0.40) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL30367576 0.67 ROCK1 (0.62) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL18447788 0.64 MAPT (0.54) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL18447787 0.64 KMT2A (0.55) MAPTLMNAMEN1KMT2AIDO1
SCHEMBL27636023 0.64 MAPT (0.61) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL5390679 0.64 MAPT (0.47) MAPTLMNAMEN1KMT2ACYP1A2
SCHEMBL4526945 0.64 ROCK1 (0.57) MAPTLMNAMEN1KMT2AALDH1A1

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-116437918-A Pyrazolopyridine compounds as TAM inhibitors 上海德琪医药科技有限公司 2023-07-14 CN disclosed