SCHEMBL29399625

SCHEMBL29399625

CN1CCN(C2CCN(c3ccc(N)cc3OC3CCOCC3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 5/20 0.46
▸ RET P07949 3/20 0.44
▸ ROS1 P08922 3/20 0.44
▸ ALK Q9UM73 3/20 0.44
▸ ACVR1 Q04771 2/20 0.44
▸ EML4 Q9HC35 2/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.44
▸ IKBKE Q14164 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ BRAF P15056 1/20 0.44
▸ BMPR1B O00238 1/20 0.44
▸ PLK4 O00444 1/20 0.44
▸ CIT O14578 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ GAK O14976 1/20 0.44
▸ EPHB6 O15197 1/20 0.44
▸ RIPK2 O43353 1/20 0.44
▸ BUB1 O43683 1/20 0.44
▸ SNRNP200 O75643 1/20 0.44
▸ STK16 O75716 1/20 0.44

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
SCHEMBL10036431 0.82 FGFR3 (0.51) FLT3RETROS1ALKACVR1
SCHEMBL29399636 0.82 HTT (0.48) FLT3ACVR1MAPTKDM4EGAA
SCHEMBL28685655 0.82 HTT (0.48) FLT3ACVR1MAPTKDM4EGAA
SCHEMBL15244448 0.81 KDM4E (0.43) FLT3ALKEML4MAPTKDM4E
SCHEMBL30019147 0.80 MAPT (0.52) HRH3PDE4ADRD3PTK2BMAPT
SCHEMBL30019459 0.80 MAPT (0.52) HRH3DRD3PTK2BMAPTKDM4E
SCHEMBL25797099 0.79 MAPT (0.56) RAF1BRAFMAPTKDM4EGAA
SCHEMBL10127415 0.79 FGFR3 (0.50) FLT3RETROS1ALKACVR1
SCHEMBL29397031 0.79 KDM4E (0.44) MAPTKDM4ERAD52FGFR3
SCHEMBL17631428 0.79 GAA (0.47) FLT3RETROS1ALKACVR1

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-110467637-B Bisaminyl chloropyrimidine compound containing phosphine oxide substituted aniline, preparation method and application thereof 北京赛特明强医药科技有限公司 2022-02-18 — — CN disclosed
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