SCHEMBL22201654

SCHEMBL22201654

Cc1cc(-c2cc3ncccc3c(Nc3ccc4nc(C5CC5)sc4c3)n2)c(Br)cn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.38
SYK P43405 2/20 0.35
PRKD1 Q15139 1/20 0.35
ALOX12 P18054 3/20 0.34
ALDH1A1 P00352 2/20 0.34
P2RX3 P56373 4/20 0.34
EGFR P00533 1/20 0.33
PIP4K2A P48426 2/20 0.33
PIP4K2C Q8TBX8 2/20 0.33
ROCK2 O75116 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 2/20 0.32
AURKB Q96GD4 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM4 Q14833 1/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32

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
SCHEMBL22201489 0.89 SYK (0.37) TGFBR1SYKPRKD1P2RX3EGFR
SCHEMBL22201531 0.85 ABL1 (0.38) TGFBR1SYKPRKD1ALOX12ALDH1A1
SCHEMBL22201281 0.84 SYK (0.36) TGFBR1SYKPRKD1ALOX12ALDH1A1
SCHEMBL22201368 0.82 SYK (0.45) TGFBR1SYKPRKD1ALOX12ALDH1A1
SCHEMBL22201225 0.82 TGFBR1 (0.38) TGFBR1SYKPRKD1ALOX12ALDH1A1
SCHEMBL22201421 0.81 SYK (0.36) TGFBR1SYKPRKD1P2RX3KCNH2
SCHEMBL22201494 0.81 JAK2 (0.36) TGFBR1SYKP2RX3PIP4K2CLMNA
SCHEMBL22201273 0.81 SYK (0.37) TGFBR1SYKPRKD1ALDH1A1P2RX3
SCHEMBL22201226 0.81 PRKCH (0.37) TGFBR1SYKPRKD1P2RX3KCNH2
SCHEMBL22201586 0.81 PRKCH (0.47) TGFBR1SYKALDH1A1ROCK2LMNA

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