SCHEMBL31600570

SCHEMBL31600570

Cn1nc2cc(F)c(N=C(c3ccccc3)c3ccccc3)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
POLB P06746 1/20 0.33
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31

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
SCHEMBL31601048 0.84 ESR2 (0.41) GAAESR1ESR2ALDH1A1LMNA
SCHEMBL30071553 0.81 KMT2A (0.44) GAAALDH1A1SMN1; SMN2
SCHEMBL31600676 0.80 FGFR1 (0.37) GAAPOLBMGLLALDH1A1LMNA
SCHEMBL31600264 0.77 L3MBTL1 (0.40) GAALMNA
SCHEMBL31393107 0.76 ESR1 (0.34) ESR1ESR2
SCHEMBL14868960 0.69 ALOX15 (0.45) POLBLMNAHTTSMN1; SMN2MT-CO1
SCHEMBL31600583 0.69 ALDH1A1 (0.33) GAAESR1ESR2ALDH1A1LMNA
SCHEMBL29220708 0.68 GAA (0.46) GAAESR1ESR2MGLLALDH1A1
SCHEMBL31600760 0.68 NPC1 (0.34) GAAESR1ESR2
SCHEMBL8356086 0.67 NPC1 (0.41) GAAESR1ESR2POLBMGLL

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed