SCHEMBL23287652

SCHEMBL23287652

CC(=N)c1c(N)ncnc1NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.47
SRC P12931 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
PIK3R1 P27986 1/20 0.33
MAP4K4 O95819 1/20 0.33
HPGD P15428 3/20 0.32
NPC1 O15118 2/20 0.32
TP53 P04637 2/20 0.32
RAB9A P51151 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
PIK3R2 O00459 1/20 0.31
PIK3CG P48736 1/20 0.31
APP P05067 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL23287655 0.87 PIK3CD (0.45) PIK3CDSRCPIK3R1PIK3R2PIK3CG
SCHEMBL18518829 0.85 SMN1; SMN2 (0.39) PIK3CDSRCSMN1; SMN2LMNAHTT
SCHEMBL18518266 0.81 SRC (0.37) PIK3CDSRCSMN1; SMN2LMNAHTT
SCHEMBL23287653 0.80 PIK3CD (0.41) PIK3CD
SCHEMBL18518582 0.79 PIK3CD (0.36) PIK3CDSRCSMN1; SMN2LMNAHTT
SCHEMBL16005852 0.78 PIK3CD (0.34) PIK3CDLMNA
SCHEMBL22243284 0.77 EGFR (0.47) PIK3CDLMNAHTTMAP4K4HSD17B10
SCHEMBL24671042 0.75 CYP2C19 (0.36) PIK3CDSRCSMN1; SMN2LMNAHTT
SCHEMBL18518261 0.75 RET (0.36) PIK3CDSRCSMN1; SMN2LMNAHTT
SCHEMBL25057478 0.74 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTMAP4K4HPGD

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
EP-3811974-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS Infinity Pharmaceuticals, Inc. (US) 2021-04-28 EP disclosed