SCHEMBL31219399

SCHEMBL31219399

Cn1c(C2=CCC3(CCNCC3)CC2)c(-c2ccc(C3CC3)nc2)c2c(N)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.33
▸ PRMT5 O14744 3/20 0.33
▸ METTL3 Q86U44 3/20 0.33
▸ SRC P12931 8/20 0.33
▸ LCK P06239 2/20 0.33
▸ TEK Q02763 2/20 0.33
▸ ABL1 P00519 3/20 0.32
▸ RET P07949 3/20 0.32
▸ EGFR P00533 3/20 0.32
▸ ABL2 P42684 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ KDR P35968 2/20 0.31
▸ FGR P09769 1/20 0.31
▸ EPHA1 P21709 1/20 0.31
▸ TXK P42681 1/20 0.31
▸ FRK P42685 1/20 0.31
▸ PTK6 Q13882 1/20 0.31
▸ PIK3CA P42336 2/20 0.31
▸ MTOR P42345 2/20 0.31
▸ PIK3CD O00329 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
SCHEMBL26105963 0.86 CCNT1 (0.34) PRMT5METTL3SRCABL1RET
SCHEMBL30582608 0.86 CCNT1 (0.34) PRMT5METTL3SRCABL1RET
SCHEMBL30582593 0.86 KCNH2 (0.34) SRCLCKTEKABL1EGFR
SCHEMBL30582590 0.86 KCNH2 (0.34) SRCLCKTEKABL1EGFR
SCHEMBL26108928 0.86 KCNH2 (0.34) SRCLCKTEKABL1EGFR
SCHEMBL31219432 0.85 RET (0.33) PRMT5METTL3RETLRRK2
SCHEMBL31219342 0.84 ITK (0.40) EGFR
SCHEMBL30582605 0.84 CCNT1 (0.38) SRCLCKTEKABL1RET
SCHEMBL26106044 0.84 CCNT1 (0.38) SRCLCKTEKABL1RET
SCHEMBL30582601 0.83 PIK3CD (0.40) SRCABL1RETEGFRLRRK2

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
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
Send feedback