SCHEMBL29388723

SCHEMBL29388723

CCCN1CC[C@H](n2cc(I)c3c(N)ncnc32)C1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 9/20 0.47
▸ MTOR P42345 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ABL1 P00519 5/20 0.45
▸ EGFR P00533 5/20 0.45
▸ SRC P12931 5/20 0.45
▸ ABL2 P42684 5/20 0.45
▸ BTK Q06187 5/20 0.44
▸ LCK P06239 1/20 0.43

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
SCHEMBL29385585 0.92 ADK (0.47) ADKMTORRAB9AABL1EGFR
SCHEMBL16236916 0.84 MTOR (0.50) ADKMTORRAB9AABL1EGFR
SCHEMBL29388402 0.83 ADK (0.50) ADKMTORRAB9AABL1EGFR
SCHEMBL19743546 0.82 MTOR (0.52) ADKMTORRAB9AABL1EGFR
SCHEMBL30120727 0.80 ABL1 (0.48) ADKMTORRAB9AABL1EGFR
SCHEMBL16236082 0.80 ABL1 (0.48) ADKMTORRAB9AABL1EGFR
SCHEMBL29388058 0.80 SRC (0.57) ADKABL1EGFRSRCBTK
SCHEMBL18393435 0.79 MTOR (0.47) ADKMTORRAB9AABL1EGFR
SCHEMBL18393434 0.79 MTOR (0.47) ADKMTORRAB9AABL1EGFR
SCHEMBL24650664 0.79 MTOR (0.54) ADKMTORRAB9AABL1EGFR

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-2022033532-A1 FGFR AND MUTATION INHIBITOR THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2022-02-17 — — WO disclosed
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