SCHEMBL22201653

SCHEMBL22201653

Cc1cc(Oc2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.41
PRKD1 Q15139 1/20 0.38
ABCB1 P08183 5/20 0.36
ABCG2 Q9UNQ0 5/20 0.36
ADORA3 P0DMS8 2/20 0.36
ALOX12 P18054 3/20 0.35
ALDH1A1 P00352 2/20 0.35
P2RX3 P56373 1/20 0.35
ROCK2 O75116 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADAM17 P78536 1/20 0.34
ABCC1 P33527 2/20 0.33

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
SCHEMBL22201321 0.90 BRAF (0.36) TGFBR1PRKD1ABCB1ABCG2ADORA3
SCHEMBL22201242 0.88 HTR2C (0.38) TGFBR1PRKD1ABCB1ABCG2ALOX12
SCHEMBL22201238 0.83 POLB (0.36) TGFBR1ABCG2ALDH1A1P2RX3LMNA
SCHEMBL22201481 0.81 CSF1R (0.37) ABCB1ABCG2ADORA3ALDH1A1P2RX3
SCHEMBL22201243 0.81 ABCG2 (0.35) ABCB1ABCG2ALDH1A1P2RX3ABCC1
SCHEMBL22201368 0.78 SYK (0.45) TGFBR1PRKD1ABCB1ABCG2ADORA3
SCHEMBL22201415 0.76 PIP4K2A (0.37) TGFBR1PRKD1ALOX12ALDH1A1P2RX3
SCHEMBL22201223 0.75 GRM4 (0.38) TGFBR1PRKD1ADORA3ALOX12ALDH1A1
SCHEMBL22201586 0.75 PRKCH (0.47) TGFBR1ABCB1ABCG2ALDH1A1ROCK2
SCHEMBL22201537 0.75 KDM4E (0.42) TGFBR1ADORA3ALDH1A1P2RX3ROCK2

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