SCHEMBL28198159

SCHEMBL28198159

CNc1ccc(CN2CCN(C)CC2)c(C(OC)OC)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ DRD4 P21917 2/20 0.35
▸ DRD3 P35462 2/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ MC4R P32245 1/20 0.35
▸ GAA P10253 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL28197508 0.86 HSD17B10 (0.46) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL20971490 0.81 BTK (0.35) —
SCHEMBL20971433 0.75 NCF1 (0.33) —
Trifluoroacetic Acid SCHEMBL20971517 0.74 L3MBTL1 (0.36) HRH3
SCHEMBL20971324 0.73 RORC (0.39) —
SCHEMBL19923091 0.72 KDM4E (0.36) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL21872262 0.68 BACE1 (0.32) —
SCHEMBL18390571 0.67 MEN1 (0.49) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL18390576 0.67 PDCD1LG2 (0.46) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL20971484 0.67 NCF1 (0.36) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349896-A Heterocyclic compounds as FGFR inhibitors 南京天印健华医药科技有限公司 2018-07-31 — — CN disclosed
CN-107619388-A Heterocyclic compound as FGFR inhibitor 南京天印健华医药科技有限公司 2018-01-23 — — CN disclosed
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