SCHEMBL30680201

SCHEMBL30680201

CCOC(=O)C1(c2c(N)ncnc2-c2ccc([N+](=O)[O-])cc2)CC=CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
PRKCZ Q05513 1/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
GAA P10253 1/20 0.36
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35

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
SCHEMBL30680199 0.89 JAK2 (0.42) MAPTPRKCZRAB9ASMN1; SMN2MEN1
SCHEMBL28936359 0.82 OPRM1 (0.36) MEN1KMT2A
SCHEMBL30680173 0.77 OPRM1 (0.37) MEN1KMT2A
SCHEMBL1769341 0.67 LMNA (0.64) MAPTSMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL12273135 0.65 LMNA (0.68) MAPTSMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL29126850 0.65 MAPT (0.44) MAPTPRKCZRAB9ASMN1; SMN2KMT2A
SCHEMBL27541726 0.63 MAPT (0.52) MAPTPRKCZRAB9ASMN1; SMN2MEN1
SCHEMBL2818552 0.63 PRKCZ (0.41) MAPTPRKCZRAB9ASMN1; SMN2MEN1
SCHEMBL16423615 0.63 LMNA (0.58) MAPTSMN1; SMN2MEN1CYP1A2CYP3A4
SCHEMBL6737966 0.63 OPRM1 (0.67) MAPTSMN1; SMN2MEN1CYP1A2CYP3A4

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-117222640-A Heterocyclic compounds as FGFR inhibitors and uses thereof 先声再明医药有限公司 2023-12-12 CN disclosed