SCHEMBL22201239

SCHEMBL22201239

c1cncc(Nc2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.39
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CSF1R P07333 1/20 0.35
ABCG2 Q9UNQ0 5/20 0.35
CYP1A2 P05177 2/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CD38 P28907 1/20 0.35
P2RX3 P56373 2/20 0.34
GRM4 Q14833 1/20 0.34
RAD52 P43351 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 2/20 0.34

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
SCHEMBL22201537 0.91 KDM4E (0.42) PDE5ACYP1A2ALDH1A1LMNACYP3A4
SCHEMBL22201236 0.87 KDM4E (0.36) TYK2JAK3JAK2JAK1ALDH1A1
SCHEMBL22201416 0.87 MEN1 (0.44) ABCG2USP2KMT2AABCB1
SCHEMBL22201365 0.86 ADORA3 (0.38) TYK2JAK3JAK2JAK1CSF1R
SCHEMBL22201366 0.85 MAPT (0.39) ABCG2CYP1A2ALDH1A1USP2LMNA
SCHEMBL22201415 0.84 PIP4K2A (0.37) TYK2JAK3JAK2JAK1CYP1A2
SCHEMBL22201481 0.83 CSF1R (0.37) CSF1RABCG2CYP1A2ALDH1A1USP2
SCHEMBL22201226 0.81 PRKCH (0.37) CYP1A2P2RX3GRM4ADORA3TGFBR1
SCHEMBL22201586 0.81 PRKCH (0.47) PDE5AABCG2ALDH1A1LMNAKMT2A
SCHEMBL22201368 0.81 SYK (0.45) ABCG2CYP1A2ALDH1A1P2RX3GRM4

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed