SCHEMBL19982873

SCHEMBL19982873

C=C(C)c1nc2ccccc2n1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 4/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
ATM Q13315 1/20 0.50
KDM4E B2RXH2 4/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47

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
SCHEMBL7738315 0.84 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL2729927 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL28607407 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL29786163 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL6990517 0.79 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL760729 0.78 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL2596342 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL17470433 0.77 MAPK1 (0.57) ALDH1A1LMNAHTTRECQLKDM4E
SCHEMBL6028575 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL
SCHEMBL16488211 0.76 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAHTTRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 WO disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed